[(3S,10S,13R)-10,13-dimethyl-17-[(E,2S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,10S,13R)-10,13-dimethyl-17-[(E,2S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,10S,13R)-17-[(E,1S)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,10S,13R)-10,13-dimethyl-17-[(E,2S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10S,13R)-10,13-dimethyl-17-[(E,2S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,10S,13R)-17-[(E,1S)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H46O2 MolecularWeight: 426.67434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C

Isomeric SMILES

CCC(C)/C=C/[C@H](C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

InChI

InChI=1S/C29H46O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-20,22-23,25-27H,7,10,12-18H2,1-6H3/b9-8+/t19?,20-,22?,23-,25?,26?,27?,28-,29+/m0/s1