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

Systemtic Name: [3-[[(8R,13S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1-oxidanylphosphonoyl-propyl]phosphinic acid Openeye Name: [1-hydroxyphosphonoyl-3-[[(8R,13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]propyl]phosphinic acid CAS Name: [1-hydroxyphosphonoyl-3-[[(8R,13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethoxy]propyl]phosphinic acid IUPAC Name: [1-hydroxyphosphonoyl-3-[[(8R,13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]propyl]phosphinic acid Traditional Name: [1-hydroxyphosphonoyl-3-[[(8R,13S)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]propyl]phosphinic acid Formula: C22H30O8P2 MolecularWeight: 484.416322

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O8P2/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)/t16?,17-,18?,22+/m1/s1