[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(8R,9S,13S,14S,17S)-17-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(8R,9S,13S,14S,17S)-17-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(8R,9S,13S,14S,17S)-17-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C3CCC4(C(C3CCC2=C1)CCC4O)C)OC

Isomeric SMILES

CC(=O)OC1=C(C=C2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C)OC

InChI

InChI=1S/C21H28O4/c1-12(22)25-19-10-13-4-5-15-14(16(13)11-18(19)24-3)8-9-21(2)17(15)6-7-20(21)23/h10-11,14-15,17,20,23H,4-9H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1