[(1S,3S,4aS,4bR,10bS,12aS)-12a-methyl-1-oxidanyl-8-phenylmethoxy-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,3S,4aS,4bR,10bS,12aS)-12a-methyl-1-oxidanyl-8-phenylmethoxy-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,3S,4aS,4bR,10bS,12aS)-8-benzyloxy-1-hydroxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,3S,4aS,4bR,10bS,12aS)-1-hydroxy-12a-methyl-8-phenylmethoxy-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] ester IUPAC Name: [(1S,3S,4aS,4bR,10bS,12aS)-1-hydroxy-12a-methyl-8-phenylmethoxy-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,3S,4aS,4bR,10bS,12aS)-8-benzoxy-1-hydroxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] ester Formula: C33H38O5S MolecularWeight: 546.71682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3C4CCC5=C(C4CCC3(C(C2)O)C)C=CC(=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H]3[C@@H]4CCC5=C([C@H]4CC[C@@]3([C@H](C2)O)C)C=CC(=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H38O5S/c1-22-8-12-27(13-9-22)39(35,36)38-26-19-31-30-14-10-24-18-25(37-21-23-6-4-3-5-7-23)11-15-28(24)29(30)16-17-33(31,2)32(34)20-26/h3-9,11-13,15,18,26,29-32,34H,10,14,16-17,19-21H2,1-2H3/t26-,29+,30+,31-,32-,33-/m0/s1