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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC3C(C1CCC2O)CCC4=CC(=O)C=CC34C

Isomeric SMILES

CC(=O)OC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C21H28O4/c1-13(22)25-12-21-10-8-17-16(18(21)5-6-19(21)24)4-3-14-11-15(23)7-9-20(14,17)2/h7,9,11,16-19,24H,3-6,8,10,12H2,1-2H3/t16-,17+,18+,19+,20+,21-/m1/s1