Abyssinol C

[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Also Known As: Abyssinol C|1,3-Bis(acetyloxy)-5-hydroxy-15-methoxy-16,19-dioxobufa-14,20,22-trienolide|[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|[(1R,3S,5S,8R,9S,10R,13R,17S)-3-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate|1beta,3beta-Bis(acetyloxy)-5-hydroxy-15-methoxy-16,19-dioxo-5beta-bufa-14,20,22-trienolide

Molecular Formula	C29H34O10
Molecular Weight	542.2152 g/mol
LogP	1.8
Topological Polar Surface Area	143.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	542.2152
Monoisotopic Mass	542.2152
Heavy Atoms	39
Complexity	1230.0

Chemical Identifiers

CAS Number	96819-79-3
SMILES	CC(=O)O[C@H]1C[C@H]([C@@]2([C@H]3CC[C@@]4([C@H](C(=O)C(=C4[C@@H]3CC[C@@]2(C1)O)OC)C5=COC(=O)C=C5)C)C=O)OC(=O)C
InChIKey	ZHJLYWYOQBYSDP-NMWNSSENSA-N