Exact Mass: 642.3516

Exact Mass Matches: 642.3516

Found 72 metabolites which its exact mass value is equals to given mass value 642.3516, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PA(10:0/PGJ2)

[(2R)-3-(decanoyloxy)-2-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}propoxy]phosphonic acid

C33H55O10P (642.3533)


PA(10:0/PGJ2) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(10:0/PGJ2), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Prostaglandin J2 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(PGJ2/10:0)

[(2R)-2-(decanoyloxy)-3-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}propoxy]phosphonic acid

C33H55O10P (642.3533)


PA(PGJ2/10:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(PGJ2/10:0), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of decanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

Trifoliolasine A

Trifoliolasine A

C35H50N2O9 (642.3516)


   

(+)-Tenuicausine

(+)-Tenuicausine

C41H46N4O3 (642.357)


   

PM-2004-70-452-4

PM-2004-70-452-4

C40H50O7 (642.3556)


   

20-hydroxy-beta-ecdysone-3-O-beta-D-glucopyranoside|20-hydroxyecdysone 3-beta-D-glucopyranoside|20-hydroxyecdysone 3-O-beta-D-glucoside|20-Hydroxyecdysone-3-beta-D-glucopyranoside|Ecdysterone-3-O-??-D-glucopyranoside

20-hydroxy-beta-ecdysone-3-O-beta-D-glucopyranoside|20-hydroxyecdysone 3-beta-D-glucopyranoside|20-hydroxyecdysone 3-O-beta-D-glucoside|20-Hydroxyecdysone-3-beta-D-glucopyranoside|Ecdysterone-3-O-??-D-glucopyranoside

C33H54O12 (642.3615)


   

17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C33H54O12 (642.3615)


   

Ecdysterone-22-O-??-D-glucopyranoside

Ecdysterone-22-O-??-D-glucopyranoside

C33H54O12 (642.3615)


   

(24S,25R)-5alpha-Spirostan-2alpha,3beta,5alpha,6beta,24-pentaol 24-O-beta-D-glucopyranoside

(24S,25R)-5alpha-Spirostan-2alpha,3beta,5alpha,6beta,24-pentaol 24-O-beta-D-glucopyranoside

C33H54O12 (642.3615)


   

(3beta,20S)-pregn-5-ene-3,20-diol 20-[O-beta-glucopyranosyl-(1->6)-O-beta-glucopyranoside]

(3beta,20S)-pregn-5-ene-3,20-diol 20-[O-beta-glucopyranosyl-(1->6)-O-beta-glucopyranoside]

C33H54O12 (642.3615)


   

pentologenin 5-O-beta-D-glucopyranoside

pentologenin 5-O-beta-D-glucopyranoside

C33H54O12 (642.3615)


   

pterosterone 24-O-beta-D-glucopyranoside

pterosterone 24-O-beta-D-glucopyranoside

C33H54O12 (642.3615)


   

(16S,19E)-2-(18E)-alstophyll-18-en-18-yl-(2alpha,7alpha)-2,7-dihydro-1,16-cyclo-coryn-19-en-17-oic acid methyl ester|macrocarpamine

(16S,19E)-2-(18E)-alstophyll-18-en-18-yl-(2alpha,7alpha)-2,7-dihydro-1,16-cyclo-coryn-19-en-17-oic acid methyl ester|macrocarpamine

C41H46N4O3 (642.357)


   

20??-Ecdysterone 2-O-??-D-glucopyranoside

20??-Ecdysterone 2-O-??-D-glucopyranoside

C33H54O12 (642.3615)


   

(3beta,20S)-pregn-5-ene-3,20-diol 3-beta-glucopyranoside 20-beta-glucopyranoside|3-O-beta-D-glucopyranosyl-(3beta,20S)-pregn-5-ene-3,20-diol 20-O-beta-D-glucopyranoside|periseoside C

(3beta,20S)-pregn-5-ene-3,20-diol 3-beta-glucopyranoside 20-beta-glucopyranoside|3-O-beta-D-glucopyranosyl-(3beta,20S)-pregn-5-ene-3,20-diol 20-O-beta-D-glucopyranoside|periseoside C

C33H54O12 (642.3615)


   

Amphidinolide N

Amphidinolide N

C33H54O12 (642.3615)


   

17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]

NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]

C33H54O12 (642.3615)


   
   

17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C33H54O12 (642.3615)


   
   
   

[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C33H55O10P (642.3533)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C33H55O10P (642.3533)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C33H55O10P (642.3533)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C33H55O10P (642.3533)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C33H55O10P (642.3533)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C33H55O10P (642.3533)


   

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C33H55O10P (642.3533)


   

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C33H55O10P (642.3533)


   
   
   

PA P-18:1/12:4;O3

PA P-18:1/12:4;O3

C33H55O10P (642.3533)


   

PA 18:2/12:3;O2

PA 18:2/12:3;O2

C33H55O10P (642.3533)


   

PA 18:3/12:2;O2

PA 18:3/12:2;O2

C33H55O10P (642.3533)


   
   
   
   
   

ST 27:1;O6;GlcA

ST 27:1;O6;GlcA

C33H54O12 (642.3615)


   

ST 27:2;O7;Hex

ST 27:2;O7;Hex

C33H54O12 (642.3615)


   

2-[1-(9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[1-(9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O12 (642.3615)


   

(4ar,5s,6r,8ar)-5-{2-[(1r,2r,6s,9r,11s,13r,14s,17s,18s)-11-(furan-3-yl)-9,13-dimethyl-3-oxo-4,10,21-trioxahexacyclo[16.2.1.0²,⁶.0²,¹⁷.0⁶,¹⁴.0⁹,¹³]henicosa-15,19-dien-20-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

(4ar,5s,6r,8ar)-5-{2-[(1r,2r,6s,9r,11s,13r,14s,17s,18s)-11-(furan-3-yl)-9,13-dimethyl-3-oxo-4,10,21-trioxahexacyclo[16.2.1.0²,⁶.0²,¹⁷.0⁶,¹⁴.0⁹,¹³]henicosa-15,19-dien-20-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

C40H50O7 (642.3556)


   

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

1-(2,6-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

1-(2,6-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

1-(2,3-dihydroxy-6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

1-(2,3-dihydroxy-6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

20β-ecdysterone 2-o-β-d-glucopyranoside

NA

C33H54O12 (642.3615)


{"Ingredient_id": "HBIN003389","Ingredient_name": "20\u03b2-ecdysterone 2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C33H54O12","Ingredient_Smile": "CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)OC5C(C(C(C(O5)CO)O)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6679","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxybutyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxybutyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

C33H54O12 (642.3615)


   

5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',16',18',19'-tetrol

5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',16',18',19'-tetrol

C33H54O12 (642.3615)


   

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r,5s)-2,3-dihydroxy-6-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r,5s)-2,3-dihydroxy-6-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

macrocarpamine

macrocarpamine

C41H46N4O3 (642.357)


   

(2r,3r,4s,5s,6r)-2-[(1s)-1-[(1s,3as,3bs,7s,9ar,9bs,11as)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethoxy]-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(1s)-1-[(1s,3as,3bs,7s,9ar,9bs,11as)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethoxy]-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C33H54O12 (642.3615)


   

(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14's,15's,16's,17's,18'r)-5,7',9',13'-tetramethyl-18'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',17'-tetrol

(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14's,15's,16's,17's,18'r)-5,7',9',13'-tetramethyl-18'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',17'-tetrol

C33H54O12 (642.3615)


   

1-(2,3-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

1-(2,3-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

(1's,2r,2's,4s,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18'r,19'r)-5,7',9',13'-tetramethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',16',18',19'-tetrol

(1's,2r,2's,4s,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18'r,19'r)-5,7',9',13'-tetramethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',16',18',19'-tetrol

C33H54O12 (642.3615)


   

{11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-[(2-methylpropanoyl)oxy]-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-aminobenzoate

{11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-[(2-methylpropanoyl)oxy]-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-aminobenzoate

C35H50N2O9 (642.3516)


   

5-{2-[11-(furan-3-yl)-9,13-dimethyl-3-oxo-4,10,21-trioxahexacyclo[16.2.1.0²,⁶.0²,¹⁷.0⁶,¹⁴.0⁹,¹³]henicosa-15,19-dien-20-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

5-{2-[11-(furan-3-yl)-9,13-dimethyl-3-oxo-4,10,21-trioxahexacyclo[16.2.1.0²,⁶.0²,¹⁷.0⁶,¹⁴.0⁹,¹³]henicosa-15,19-dien-20-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

C40H50O7 (642.3556)


   

methyl (13e)-17-(2-{3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethenyl)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6-triene-18-carboxylate

methyl (13e)-17-(2-{3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethenyl)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6-triene-18-carboxylate

C41H46N4O3 (642.357)


   

5,7',9',13'-tetramethyl-18'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',17'-tetrol

5,7',9',13'-tetramethyl-18'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',17'-tetrol

C33H54O12 (642.3615)


   

(3r,4r,6r,8s,10r,12r,14r,16s,17z,19e,21e,23e,25e,27s,28s)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1s)-1-hydroxybutyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

(3r,4r,6r,8s,10r,12r,14r,16s,17z,19e,21e,23e,25e,27s,28s)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1s)-1-hydroxybutyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

C33H54O12 (642.3615)


   

(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13's,14's,15's,16's,17's,18'r)-5,7',9',13'-tetramethyl-18'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',17'-tetrol

(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13's,14's,15's,16's,17's,18'r)-5,7',9',13'-tetramethyl-18'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',17'-tetrol

C33H54O12 (642.3615)


   

(1r,2r,4e,24r,27r)-18-butyl-1,2,9,14,19,22,27-heptahydroxy-4,6,15-trimethyl-10-methylidene-12,17,28-trioxatricyclo[22.3.1.0¹¹,¹³]octacos-4-ene-7,16-dione

(1r,2r,4e,24r,27r)-18-butyl-1,2,9,14,19,22,27-heptahydroxy-4,6,15-trimethyl-10-methylidene-12,17,28-trioxatricyclo[22.3.1.0¹¹,¹³]octacos-4-ene-7,16-dione

C33H54O12 (642.3615)


   

methyl (1r,12r,19s)-12-ethyl-4-[(15s,19r)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18),13-pentaen-17-yl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate

methyl (1r,12r,19s)-12-ethyl-4-[(15s,19r)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18),13-pentaen-17-yl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate

C41H46N4O3 (642.357)


   

methyl (1s,12r,19r)-12-ethyl-4-[(15r,17s,19r)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18),13-pentaen-17-yl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate

methyl (1s,12r,19r)-12-ethyl-4-[(15r,17s,19r)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18),13-pentaen-17-yl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate

C41H46N4O3 (642.357)


   

1-[(2r)-2,6-dihydroxy-6-methyl-3-{[(3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxyoxepan-3-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-11a-methyl-1h,2h,3h,5ah,6h,7h,8h,9h,9ah,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

1-[(2r)-2,6-dihydroxy-6-methyl-3-{[(3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxyoxepan-3-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-11a-methyl-1h,2h,3h,5ah,6h,7h,8h,9h,9ah,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-[(2-methylpropanoyl)oxy]-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate

[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-[(2-methylpropanoyl)oxy]-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate

C35H50N2O9 (642.3516)


   

(1s,3as,5as,7r,8r,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5as,7r,8r,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

3a,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

3a,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C33H54O12 (642.3615)


   

2-(1-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

2-(1-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C33H54O12 (642.3615)


   

(2r,3r,4s,5s,6r)-2-[(1s)-1-[(1s,3as,3bs,7s,9ar,9bs,11as)-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(1s)-1-[(1s,3as,3bs,7s,9ar,9bs,11as)-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O12 (642.3615)