[(8R,9S,10S,13S,14S,17S)-13-methyl-17-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl]methyl ethanoate

Systemtic Name: [(8R,9S,10S,13S,14S,17S)-13-methyl-17-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl]methyl ethanoate Openeye Name: [(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl]methyl acetate CAS Name: acetic acid [(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl]methyl ester IUPAC Name: [(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl]methyl acetate Traditional Name: acetic acid [(8R,9S,10S,13S,14S,17S)-17-hydroxy-3-keto-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl]methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12C=CC(=O)C=C1CCC3C2CCC4(C3CCC4O)C

Isomeric SMILES

CC(=O)OC[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C

InChI

InChI=1S/C21H28O4/c1-13(22)25-12-21-10-7-15(23)11-14(21)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h7,10-11,16-19,24H,3-6,8-9,12H2,1-2H3/t16-,17-,18-,19-,20-,21+/m0/s1