[(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]methyl methanesulfonate

Systemtic Name: [(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]methyl methanesulfonate Openeye Name: [(2S,4bS,7R,8aS)-7-tert-butoxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]methyl ester IUPAC Name: [(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(2S,4bS,7R,8aS)-7-tert-butoxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]methyl ester Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)CCC3C2(CCC(C3)OC(C)(C)C)C)COS(=O)(=O)C

Isomeric SMILES

C[C@@]1(CCC2C(C1)CC[C@@H]3[C@@]2(CC[C@H](C3)OC(C)(C)C)C)COS(=O)(=O)C

InChI

InChI=1S/C22H40O4S/c1-20(2,3)26-18-9-12-22(5)17(13-18)8-7-16-14-21(4,11-10-19(16)22)15-25-27(6,23)24/h16-19H,7-15H2,1-6H3/t16?,17-,18+,19?,21-,22-/m0/s1