[3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate

Systemtic Name: [3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate Openeye Name: [3-(1,1-dimethylpentyl)-3a,11a-dimethyl-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate CAS Name: benzoic acid [3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] ester IUPAC Name: [3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate Traditional Name: benzoic acid [3-(1,1-dimethylpentyl)-3a,11a-dimethyl-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] ester Formula: C33H48O2 MolecularWeight: 476.73302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1CCC2C1(CCC3C2C4(CCC(CC4=CC3)OC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCCCC(C)(C)C1CCC2C1(CCC3C2C4(CCC(CC4=CC3)OC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C33H48O2/c1-6-7-19-31(2,3)28-16-15-27-29-23(17-20-33(27,28)5)13-14-25-22-26(18-21-32(25,29)4)35-30(34)24-11-9-8-10-12-24/h8-12,14,23,26-29H,6-7,13,15-22H2,1-5H3