[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-methyl-phosphoryl]oxymethyl 2,2-dimethylpropanoate

Systemtic Name: [[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-methyl-phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-methyl-phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-methylphosphoryl]oxymethyl ester IUPAC Name: [[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-methylphosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [[(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-methyl-phosphoryl]oxymethyl ester Formula: C26H41O6P MolecularWeight: 480.573901

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OP(=O)(C)OCOC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(C)OCOC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C

InChI

InChI=1S/C26H41O6P/c1-24(2,3)23(28)30-16-31-33(6,29)32-22-10-9-20-19-8-7-17-15-18(27)11-13-25(17,4)21(19)12-14-26(20,22)5/h15,19-22H,7-14,16H2,1-6H3/t19-,20-,21-,22-,25-,26-,33?/m0/s1