(17-ethynyl-10,13-dimethyl-9-oxidanyl-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) methanesulfonate

Systemtic Name: (17-ethynyl-10,13-dimethyl-9-oxidanyl-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) methanesulfonate Openeye Name: (17-ethynyl-9-hydroxy-10,13-dimethyl-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) methanesulfonate CAS Name: methanesulfonic acid (17-ethynyl-9-hydroxy-10,13-dimethyl-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (17-ethynyl-9-hydroxy-10,13-dimethyl-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) methanesulfonate Traditional Name: methanesulfonic acid (17-ethynyl-9-hydroxy-10,13-dimethyl-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3(C(C1CCC2(C#C)OS(=O)(=O)C)CC=C4C3(CCC=C4)C)O

Isomeric SMILES

CC12CCC3(C(C1CCC2(C#C)OS(=O)(=O)C)CC=C4C3(CCC=C4)C)O

InChI

InChI=1S/C22H30O4S/c1-5-21(26-27(4,24)25)13-11-17-18-10-9-16-8-6-7-12-19(16,2)22(18,23)15-14-20(17,21)3/h1,6,8-9,17-18,23H,7,10-15H2,2-4H3