(8S,9R,10S,13S,14R,17S)-17-(2,2-dimethylpropanoyloxy)-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-8-olate

Systemtic Name: (8S,9R,10S,13S,14R,17S)-17-(2,2-dimethylpropanoyloxy)-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-8-olate Openeye Name: (8S,9R,10S,13S,14R,17S)-17-(2,2-dimethylpropanoyloxy)-10-(hydroxymethyl)-13-methyl-3-oxo-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-8-olate CAS Name: (8S,9R,10S,13S,14R,17S)-17-(2,2-dimethyl-1-oxopropoxy)-10-(hydroxymethyl)-13-methyl-3-oxo-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-8-olate IUPAC Name: (8S,9R,10S,13S,14R,17S)-17-(2,2-dimethylpropanoyloxy)-10-(hydroxymethyl)-13-methyl-3-oxo-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-8-olate Traditional Name: (8S,9R,10S,13S,14R,17S)-3-keto-13-methyl-10-methylol-17-pivaloyloxy-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-8-olate Formula: C24H35O5- MolecularWeight: 403.5317

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C4(CCC(=O)C=C4CCC3(C1CCC2OC(=O)C(C)(C)C)[O-])CO

Isomeric SMILES

C[C@]12CC[C@@H]3[C@]4(CCC(=O)C=C4CC[C@]3([C@@H]1CC[C@@H]2OC(=O)C(C)(C)C)[O-])CO

InChI

InChI=1S/C24H35O5/c1-21(2,3)20(27)29-19-6-5-17-22(19,4)10-9-18-23(14-25)11-8-16(26)13-15(23)7-12-24(17,18)28/h13,17-19,25H,5-12,14H2,1-4H3/q-1/t17-,18-,19+,22+,23-,24-/m1/s1