Exact Mass: 822.4401

Exact Mass Matches: 822.4401

Found 28 metabolites which its exact mass value is equals to given mass value 822.4401, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

β-Acetyldigoxin

[(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate

C43H66O15 (822.4401)


Alpha- or beta-acetyl derivatives of DIGOXIN or lanatoside C from Digitalis lanata. They are better absorbed and longer acting than digoxin and are used in congestive heart failure. β-Acetyldigoxin is a derivative of digoxin, a well-known cardiac glycoside used in the treatment of heart conditions such as heart failure and certain arrhythmias. Cardiac glycosides are compounds that consist of a sugar moiety (glycoside) and a steroid nucleus (aglycone), and they exert their effects on the heart by inhibiting the sodium-potassium ATPase pump, leading to increased intracellular calcium levels and enhanced cardiac contractility. In the case of β-acetyldigoxin, the digoxin molecule is modified by the addition of an acetyl group at the C-16 hydroxyl position of the steroid nucleus. This acetylation can alter the physicochemical properties of the compound, potentially affecting its absorption, distribution, metabolism, and excretion (ADME) profile. As a result, β-acetyldigoxin may exhibit different pharmacokinetic properties compared to digoxin, such as altered bioavailability and tissue distribution. The primary therapeutic use of β-acetyldigoxin, like digoxin, is in the management of chronic heart failure and atrial fibrillation. It is important to note that while β-acetyldigoxin and digoxin share similar mechanisms of action, they are not identical compounds, and their use should be guided by specific clinical indications and patient requirements. Due to the potential for variations in pharmacokinetics and pharmacodynamics, the dosing and monitoring of β-acetyldigoxin may differ from that of digoxin. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D000113 - Acetyldigoxins D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors β-Acetyldigoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5355-48-6 (retrieved 2024-10-11) (CAS RN: 5355-48-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

α-Acetyl Digoxin

alpha-Acetyldigoxin

C43H66O15 (822.4401)


C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AA - Digitalis glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D000113 - Acetyldigoxins D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors

   

16-Acetylgitoxin

5-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl acetate

C43H66O15 (822.4401)


   

alpha-Acetyldigoxin

6-({6-[(6-{[11,16-dihydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-3-hydroxy-2-methyloxan-4-yl acetate

C43H66O15 (822.4401)


   

beta-Acetyldigoxin

6-({6-[(6-{[11,16-dihydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-4-hydroxy-2-methyloxan-3-yl acetate

C43H66O15 (822.4401)


   

28-O-beta-D-glucopyranosyl-bayogenin-3-O-6-O-methyl-4-anhydro-4,5-didehydro-beta-D-glucuronopyranoside

28-O-beta-D-glucopyranosyl-bayogenin-3-O-6-O-methyl-4-anhydro-4,5-didehydro-beta-D-glucuronopyranoside

C43H66O15 (822.4401)


   

Cloversaponin V methyl ester

Cloversaponin V methyl ester

C43H66O15 (822.4401)


   

ruscogenin 1-O-[O-alpha-L-rhamnopyranosyl-(1->2)-4,6-di-O-acetyl-beta-D-galactopyranoside]

ruscogenin 1-O-[O-alpha-L-rhamnopyranosyl-(1->2)-4,6-di-O-acetyl-beta-D-galactopyranoside]

C43H66O15 (822.4401)


   

DTXSID20911543

DTXSID20911543

C43H66O15 (822.4401)


   

Digoxin Impurity I

Digoxin Impurity I

C43H66O15 (822.4401)


   

Digoxin Impurity J

Digoxin Impurity J

C43H66O15 (822.4401)


   

alpha-Acetyl-digoxin

alpha-Acetyl-digoxin

C43H66O15 (822.4401)


   

beta-Acetyldigoxin

beta-Acetyldigoxin

C43H66O15 (822.4401)


   

alpha-Acetyldigoxin

alpha-Acetyldigoxin

C43H66O15 (822.4401)


   

16-Acetylgitoxin

Gitoxin 16-beta-acetate

C43H66O15 (822.4401)


D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D000113 - Acetyldigoxins

   

12-O-Acetyldigoxin

12-O-Acetyldigoxin

C43H66O15 (822.4401)


A cardenolide glycoside that is the 12-acetate of digoxin.

   

alpha-Acetyldigoxin

6-({6-[(6-{[11,16-dihydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-3-hydroxy-2-methyloxan-4-yl acetate

C43H66O15 (822.4401)


   

[1-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C43H66O15 (822.4401)


   

[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C43H66O15 (822.4401)


   

16-O-acetylgitoxin

16-O-acetylgitoxin

C43H66O15 (822.4401)


A cardenolide glycoside that is the 16-acetate of gitoxin.

   

DGDG O-28:8;O

DGDG O-28:8;O

C43H66O15 (822.4401)


   

[3-(acetyloxy)-4-hydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl acetate

[3-(acetyloxy)-4-hydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl acetate

C43H66O15 (822.4401)


   

α-acetyldigoxin

α-acetyldigoxin

C43H66O15 (822.4401)


   

methyl 4,5-dihydroxy-6-{[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylate

methyl 4,5-dihydroxy-6-{[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylate

C43H66O15 (822.4401)


   

3a,5a-dihydroxy-7-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

3a,5a-dihydroxy-7-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C43H66O15 (822.4401)


   

(1r,2r,3br,5ar,7s,9as,9bs,11ar)-7-{[(2s,4s,5r,6r)-4,5-bis({[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy})-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

(1r,2r,3br,5ar,7s,9as,9bs,11ar)-7-{[(2s,4s,5r,6r)-4,5-bis({[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy})-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C43H66O15 (822.4401)


   

[(2r,3r,4s,5r,6r)-3-(acetyloxy)-4-hydroxy-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12'r,13'r,14'r,16'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6r)-3-(acetyloxy)-4-hydroxy-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12'r,13'r,14'r,16'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

C43H66O15 (822.4401)


   

methyl (4s,5r,6r)-6-{[(2s,3r,4r,4ar,6ar,6bs,8as,12as,14ar,14br)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylate

methyl (4s,5r,6r)-6-{[(2s,3r,4r,4ar,6ar,6bs,8as,12as,14ar,14br)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylate

C43H66O15 (822.4401)