[(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 4,4-bis(diethoxyphosphoryl)butanoate

Systemtic Name: [(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 4,4-bis(diethoxyphosphoryl)butanoate Openeye Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 4,4-bis(diethoxyphosphoryl)butanoate CAS Name: 4,4-bis(diethoxyphosphoryl)butanoic acid [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 4,4-bis(diethoxyphosphoryl)butanoate Traditional Name: 4,4-bis(diethoxyphosphoryl)butyric acid [(8R,9S,13S,14S)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C30H46O9P2 MolecularWeight: 612.628362

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4=O)C)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C30H46O9P2/c1-6-35-40(33,36-7-2)29(41(34,37-8-3)38-9-4)17-16-28(32)39-22-11-13-23-21(20-22)10-12-25-24(23)18-19-30(5)26(25)14-15-27(30)31/h11,13,20,24-26,29H,6-10,12,14-19H2,1-5H3/t24-,25-,26+,30+/m1/s1