[10,13-dimethyl-17-(6-methyl-5-oxidanyl-heptan-2-yl)-1-(phenylcarbonyloxy)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [10,13-dimethyl-17-(6-methyl-5-oxidanyl-heptan-2-yl)-1-(phenylcarbonyloxy)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [1-benzoyloxy-17-(4-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [1-benzoyloxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [1-benzoyloxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [1-benzoyloxy-17-(4-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C41H52O5 MolecularWeight: 624.84858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C)C)O

Isomeric SMILES

CC(C)C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C)C)O

InChI

InChI=1S/C41H52O5/c1-26(2)36(42)21-16-27(3)33-19-20-34-32-18-17-30-24-31(45-38(43)28-12-8-6-9-13-28)25-37(46-39(44)29-14-10-7-11-15-29)41(30,5)35(32)22-23-40(33,34)4/h6-15,17-18,26-27,31,33-37,42H,16,19-25H2,1-5H3