(6-chloranyl-11-ethynyl-13-methyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl) methanesulfonate

Systemtic Name: (6-chloranyl-11-ethynyl-13-methyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl) methanesulfonate Openeye Name: (6-chloro-11-ethynyl-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl) methanesulfonate CAS Name: methanesulfonic acid (6-chloro-11-ethynyl-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl) ester IUPAC Name: (6-chloro-11-ethynyl-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (6-chloro-11-ethynyl-17-hydroxy-3-keto-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl) ester Formula: C24H29ClO5S MolecularWeight: 465.00206

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3C2C(C(C4=CC(=O)CCC34)Cl)OS(=O)(=O)C)C#C)C)O

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3C2C(C(C4=CC(=O)CCC34)Cl)OS(=O)(=O)C)C#C)C)O

InChI

InChI=1S/C24H29ClO5S/c1-5-10-24(27)11-9-18-20-19(14(6-2)13-23(18,24)3)16-8-7-15(26)12-17(16)21(25)22(20)30-31(4,28)29/h2,12,14,16,18-22,27H,7-9,11,13H2,1,3-4H3