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

Systemtic Name: sodium [9-fluoranyl-10,13-dimethyl-16,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] phosphate Openeye Name: sodium [9-fluoro-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] phosphate CAS Name: sodium [9-fluoro-16,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] phosphate IUPAC Name: sodium [9-fluoro-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] phosphate Traditional Name: sodium (9-fluoro-17-glycoloyl-16,17-dihydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl) phosphate Formula: C21H26FNaO9P- MolecularWeight: 495.387674

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)OP(=O)([O-])[O-].[Na+]

Isomeric SMILES

CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)OP(=O)([O-])[O-].[Na+]

InChI

InChI=1S/C21H28FO9P.Na/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(27,16(26)10-23)19(14,2)9-17(20(13,18)22)31-32(28,29)30;/h5-7,13-15,17,23,25,27H,3-4,8-10H2,1-2H3,(H2,28,29,30);/q;+1/p-2