disodium [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] phosphate

Systemtic Name: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] phosphate Openeye Name: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate CAS Name: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate IUPAC Name: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate Traditional Name: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] phosphate Formula: C22H28FNa2O8P MolecularWeight: 516.404624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)C)F.[Na+].[Na+]

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)C)F.[Na+].[Na+]

InChI

InChI=1S/C22H30FO8P.2Na/c1-11-6-14-13-8-16(23)15-7-12(24)4-5-20(15,2)19(13)17(25)9-21(14,3)22(11,27)18(26)10-31-32(28,29)30;;/h4-5,7,11,13-14,16-17,19,25,27H,6,8-10H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t11-,13+,14+,16+,17+,19-,20+,21+,22+;;/m1../s1