[9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate Openeye Name: [9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C29H35FO7S MolecularWeight: 546.647403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OS(=O)(=O)C5=CC=C(C=C5)C)C)O)F)C

Isomeric SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OS(=O)(=O)C5=CC=C(C=C5)C)C)O)F)C

InChI

InChI=1S/C29H35FO7S/c1-17-5-8-21(9-6-17)38(35,36)37-29(25(34)16-31)18(2)13-23-22-10-7-19-14-20(32)11-12-26(19,3)28(22,30)24(33)15-27(23,29)4/h5-6,8-9,11-12,14,18,22-24,31,33H,7,10,13,15-16H2,1-4H3