[10,13-dimethyl-17-(6-methylheptan-2-yl)-15-(phenylcarbonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-15-(phenylcarbonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [15-benzoyloxy-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [15-benzoyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [15-benzoyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [15-benzoyloxy-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C41H56O4 MolecularWeight: 612.88094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CC(C2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C)CCCC(C)C1CC(C2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C41H56O4/c1-27(2)13-12-14-28(3)35-26-36(45-39(43)30-17-10-7-11-18-30)37-33-20-19-31-25-32(44-38(42)29-15-8-6-9-16-29)21-23-40(31,4)34(33)22-24-41(35,37)5/h6-11,15-18,27-28,31-37H,12-14,19-26H2,1-5H3