10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 4-methylbenzenesulfonate

Systemtic Name: 10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 4-methylbenzenesulfonate Openeye Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 4-methylbenzenesulfonate CAS Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 4-methylbenzenesulfonate IUPAC Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 4-methylbenzenesulfonate Traditional Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one tosylate Formula: C26H35O5S- MolecularWeight: 459.6181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

InChI

InChI=1S/C19H28O2.C7H8O3S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h11,14-17,21H,3-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1