[17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H46O2 MolecularWeight: 498.73854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C=CC(C)C1CCC2C1(CC=C3C2=CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC(C)C(C)/C=C/C(C)C1CCC2C1(CC=C3C2=CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C35H46O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-15,19,23-25,28,30-31H,16-18,20-22H2,1-6H3/b13-12+