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

Systemtic Name: [(5S,7R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-7-oxidanyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(5S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(5S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(5S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(5S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-12(22)25-18-5-4-15-19-16(7-9-21(15,18)3)20(2)8-6-14(23)10-13(20)11-17(19)24/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21+/m1/s1