[(3S,5S,6S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,5S,6S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,5S,6S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6-(p-tolylsulfonyloxy)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,5S,6S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,6S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,5S,6S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6-tosyloxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C41H58O6S2 MolecularWeight: 711.02562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C(C2)C(CC4=C3CCC5(C4CCC5C(C)CCCC(C)C)C)OS(=O)(=O)C6=CC=C(C=C6)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@]3([C@H](C2)[C@H](CC4=C3CC[C@]5([C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)C)OS(=O)(=O)C6=CC=C(C=C6)C)C

InChI

InChI=1S/C41H58O6S2/c1-27(2)9-8-10-30(5)35-19-20-36-34-26-39(47-49(44,45)33-17-13-29(4)14-18-33)38-25-31(46-48(42,43)32-15-11-28(3)12-16-32)21-23-41(38,7)37(34)22-24-40(35,36)6/h11-18,27,30-31,35-36,38-39H,8-10,19-26H2,1-7H3/t30-,31+,35-,36+,38-,39+,40-,41-/m1/s1