[(1S,4aS)-6-methoxy-1,4a-dimethyl-2-oxidanylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,4aS)-6-methoxy-1,4a-dimethyl-2-oxidanylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,4aS)-7-isopropyl-6-methoxy-1,4a-dimethyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,4aS)-6-methoxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl ester IUPAC Name: [(1S,4aS)-6-methoxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,4aS)-7-isopropyl-2-keto-6-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl ester Formula: C28H36O5S MolecularWeight: 484.64744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C3CCC4=CC(=C(C=C4C3(CCC2=O)C)OC)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]2(C3CCC4=CC(=C(C=C4[C@]3(CCC2=O)C)OC)C(C)C)C

InChI

InChI=1S/C28H36O5S/c1-18(2)22-15-20-9-12-25-27(4,23(20)16-24(22)32-6)14-13-26(29)28(25,5)17-33-34(30,31)21-10-7-19(3)8-11-21/h7-8,10-11,15-16,18,25H,9,12-14,17H2,1-6H3/t25?,27-,28-/m1/s1