[(3S,5S,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-6-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5S,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-6-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5S,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-acetoxyethyl]-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5S,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5S,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-acetoxyethyl]-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)OC(=O)C)C)O)C)OC(=O)C

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)O)C)OC(=O)C

InChI

InChI=1S/C25H40O5/c1-14(29-15(2)26)19-6-7-20-18-13-23(28)22-12-17(30-16(3)27)8-10-25(22,5)21(18)9-11-24(19,20)4/h14,17-23,28H,6-13H2,1-5H3/t14-,17-,18-,19+,20-,21-,22+,23-,24+,25+/m0/s1