[(3S,8R,9S,10S,11S,12S,13S,14S,17S)-12-acetyloxy-17-ethanoyl-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] ethanoate

Systemtic Name: [(3S,8R,9S,10S,11S,12S,13S,14S,17S)-12-acetyloxy-17-ethanoyl-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] ethanoate Openeye Name: [(3S,8R,9S,10S,11S,12S,13S,14S,17S)-12-acetoxy-17-acetyl-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] acetate CAS Name: acetic acid [(3S,8R,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(3S,8R,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] acetate Traditional Name: acetic acid [(3S,8R,9S,10S,11S,12S,13S,14S,17S)-12-acetoxy-17-acetyl-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C25H38O7 MolecularWeight: 450.56502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2(C1(C(C(C3C2CCC4C3(CCC(C4)O)C)OC(=O)C)OC(=O)C)C)O

Isomeric SMILES

CC(=O)[C@H]1CC[C@]2([C@@]1([C@@H]([C@H]([C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O)C)OC(=O)C)OC(=O)C)C)O

InChI

InChI=1S/C25H38O7/c1-13(26)18-9-11-25(30)19-7-6-16-12-17(29)8-10-23(16,4)20(19)21(31-14(2)27)22(24(18,25)5)32-15(3)28/h16-22,29-30H,6-12H2,1-5H3/t16?,17-,18+,19+,20+,21-,22+,23-,24-,25-/m0/s1