[10,13-dimethyl-17-[6-methyl-6-(phenylcarbonyloxy)heptan-2-yl]-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-6-(phenylcarbonyloxy)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [17-(5-benzoyloxy-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 [17-(6-benzoyloxy-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: [17-(6-benzoyloxy-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 [17-(5-benzoyloxy-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: C41H52O4 MolecularWeight: 608.84918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC(=O)C1=CC=CC=C1)C2CCC3C2(CCC4C3=CC=C5C4(CCC(C5)OC(=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC(CCCC(C)(C)OC(=O)C1=CC=CC=C1)C2CCC3C2(CCC4C3=CC=C5C4(CCC(C5)OC(=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C41H52O4/c1-28(13-12-24-39(2,3)45-38(43)30-16-10-7-11-17-30)34-20-21-35-33-19-18-31-27-32(44-37(42)29-14-8-6-9-15-29)22-25-40(31,4)36(33)23-26-41(34,35)5/h6-11,14-19,28,32,34-36H,12-13,20-27H2,1-5H3