Exact Mass: 522.3196

Metabolite M6

C30H42N4O4 (522.3206)

Metabolite M6 is a metabolite of indinavir. Indinavir (IDV; trade name Crixivan, manufactured by Merck) is a protease inhibitor used as a component of highly active antiretroviral therapy (HAART) to treat HIV infection and AIDS. (Wikipedia)

20-Hydroxyecdysone 2-acetate

C29H46O8 (522.3193)

2-O-Acetyl-20-hydroxyecdysone, an ecdysterones in insects and terrestrial plants, inhibits amyloid-β42 (Aβ42)-induced cytotoxicity. 2-O-Acetyl-20-hydroxyecdysone could decrease Aβ oligomer formation through promotion of fibrogenesis, transforming Aβ oligomers to the low-toxicity fibrils[1].

CID 154831723

C29H46O8 (522.3193)

Viticosterone E

C29H46O8 (522.3193)

(24Z)-29-Hydroxy-24(28)-dehydromakisterone C

C29H46O8 (522.3193)

4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid

C29H46O8 (522.3193)

20-hydroxyecdysone, 3-acetate

C29H46O8 (522.3193)

(-)-(S)-isoverbasitrine

C30H42N4O4 (522.3206)

3-O-acetylteikagenin-3-O-beta-D-fucopyranoside (basikoside B)|3-O-acetylteikagenin-3-O-beta-D-fucopyranoside

C29H46O8 (522.3193)

20-Hydroxyecdysone 22-acetate

C29H46O8 (522.3193)

(3beta,14beta,17beta)-3,14,17-trihydroxy-21-methoxypregn-5-en-20-one-3-O-beta-cymaropyranoside|perisepiumoside D

C29H46O8 (522.3193)

C29H46O8

C29H46O8 (522.3193)

2beta,3beta,14alpha,20beta-tetrahydroxy-22alpha-(2-hydroxyacetoxy)-5beta-colest-7-en-6-one

C29H46O8 (522.3193)

ajugacetalsterone A

C29H46O8 (522.3193)

13-epi-manoyl oxide-19-O-alpha-L-2,5-diacetoxyarabinofuranoside

C29H46O8 (522.3193)

dihydrosiphonarin B

C29H46O8 (522.3193)

4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid_major

C29H46O8 (522.3193)

N-depyridomethyl-Indinavir

C30H42N4O4 (522.3206)

ST 29:3;O8

C29H46O8 (522.3193)

N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C30H42N4O4 (522.3206)

N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C30H42N4O4 (522.3206)

N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C30H42N4O4 (522.3206)

N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

C30H42N4O4 (522.3206)

2-[[3-acetyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C25H49NO8P+ (522.3196)

2-[[3-butanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C25H49NO8P+ (522.3196)

2-[hydroxy-[3-propanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C25H49NO8P+ (522.3196)

Metabolite M6

C30H42N4O4 (522.3206)

ST 23:1;O2;GlcA

C29H46O8 (522.3193)

ST 23:2;O3;Hex

C29H46O8 (522.3193)

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-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-8-yl acetate

C29H46O8 (522.3193)

2-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxy-6-methylheptan-3-yl 2-hydroxyacetate

C29H46O8 (522.3193)

(2e)-3-(3,4-dimethoxyphenyl)-1-[(8s)-6-hydroxy-8-phenyl-1,5,9,13-tetraazacycloheptadec-5-en-1-yl]prop-2-en-1-one

C30H42N4O4 (522.3206)

[(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] acetate

C29H46O8 (522.3193)

{"Ingredient_id": "HBIN010866","Ingredient_name": "[(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] acetate","Alias": "acetic acid [(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-6-keto-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] ester; acetic acid [(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] ester; [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] ethanoate; [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate","Ingredient_formula": "C29H46O8","Ingredient_Smile": "NA","Ingredient_weight": "522.67","OB_score": "11.09174815","CAS_id": "22033-96-1","SymMap_id": "SMIT09285","TCMID_id": "NA","TCMSP_id": "MOL007941","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2z)-3-(3,4-dimethoxyphenyl)-1-[(8s)-6-hydroxy-8-phenyl-1,5,9,13-tetraazacycloheptadec-5-en-1-yl]prop-2-en-1-one

C30H42N4O4 (522.3206)

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2r,3r,5z)-2,3,7-trihydroxy-5-(2-hydroxypropan-2-yl)hept-5-en-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C29H46O8 (522.3193)

3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-8-yl acetate

C29H46O8 (522.3193)

2-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,6-dihydroxy-6-methylheptan-3-yl acetate

C29H46O8 (522.3193)

(2r,3r,5r,6r,8s,9s,10r,11r)-8-[(1s)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-8,10-dihydroxy-2-[(2s,3s)-3-hydroxypentan-2-yl]-3,5,9,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-4-one

C29H46O8 (522.3193)

3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate

C29H46O8 (522.3193)

(5s,6r)-6-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dihydroxy-2-methylheptan-2-yl acetate

C29H46O8 (522.3193)

1-{1,3a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methoxyethanone

C29H46O8 (522.3193)

(2r,3r)-2-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-6-methylheptan-3-yl 2-hydroxyacetate

C29H46O8 (522.3193)

(2r,3r)-2-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-6-methylheptan-3-yl acetate

C29H46O8 (522.3193)

3a,7,8-trihydroxy-9a,11a-dimethyl-1-[2,3,7-trihydroxy-5-(2-hydroxypropan-2-yl)hept-5-en-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C29H46O8 (522.3193)

3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-8-phenyl-1,5,9,13-tetraazacycloheptadec-5-en-1-yl)prop-2-en-1-one

C30H42N4O4 (522.3206)

1-[(1s,3as,3br,7s,9ar,9bs,11as)-1,3a-dihydroxy-7-{[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methoxyethanone

C29H46O8 (522.3193)

(2s,3s,5s,6s,8r,9r,10s,11s)-8-[(1r)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-8,10-dihydroxy-2-[(2r,3r)-3-hydroxypentan-2-yl]-3,5,9,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-4-one

C29H46O8 (522.3193)

8-[1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-8,10-dihydroxy-2-(3-hydroxypentan-2-yl)-3,5,9,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-4-one

C29H46O8 (522.3193)

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(1r)-1-[(2r,4s,5s,6r)-4-ethyl-4,6-dihydroxy-5-methyloxan-2-yl]-1-hydroxyethyl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C29H46O8 (522.3193)

1-[1-(4-ethyl-4,6-dihydroxy-5-methyloxan-2-yl)-1-hydroxyethyl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C29H46O8 (522.3193)

6-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5,6-dihydroxy-2-methylheptan-2-yl acetate

C29H46O8 (522.3193)

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-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-7-yl acetate

C29H46O8 (522.3193)

(5r,6r)-6-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dihydroxy-2-methylheptan-2-yl acetate

C29H46O8 (522.3193)