[17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate Openeye Name: [10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [17-[(E)-5,6-dimethylhept-3-en-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-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H50O3S MolecularWeight: 550.8347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CCC5(C(C4=CC=C3C2)CCC5C(C)C=CC(C)C(C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CCC5(C(C4=CC=C3C2)CCC5C(C)/C=C/C(C)C(C)C)C)C

InChI

InChI=1S/C35H50O3S/c1-23(2)25(4)10-11-26(5)31-16-17-32-30-15-12-27-22-28(38-39(36,37)29-13-8-24(3)9-14-29)18-20-34(27,6)33(30)19-21-35(31,32)7/h8-15,23,25-26,28,31-33H,16-22H2,1-7H3/b11-10+