disodium [3-[[(8R,13S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1-oxidanidylphosphonoyl-propyl]phosphinate

Systemtic Name: disodium [3-[[(8R,13S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1-oxidanidylphosphonoyl-propyl]phosphinate Openeye Name: disodium [3-[[(8R,13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1-oxidophosphonoyl-propyl]phosphinate CAS Name: disodium [3-[[(8R,13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethoxy]-1-oxidophosphonoylpropyl]phosphinate IUPAC Name: disodium [3-[[(8R,13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1-oxidophosphonoylpropyl]phosphinate Traditional Name: disodium [3-[[(8R,13S)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1-oxidophosphonoyl-propyl]phosphinate Formula: C22H28Na2O8P2 MolecularWeight: 528.379982

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)OCCC(P(=O)[O-])P(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C[C@]12CCC3[C@H](C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)OCCC(P(=O)[O-])P(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H30O8P2.2Na/c1-22-10-8-16-15-5-3-14(30-21(24)29-11-9-20(31(25)26)32(27)28)12-13(15)2-4-17(16)18(22)6-7-19(22)23;;/h3,5,12,16-18,20,31-32H,2,4,6-11H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t16?,17-,18?,22+;;/m1../s1