(5S,8R,9S,10R,13R,14S,17S)-17-[(1S)-1-(2,2-dimethylpropanoyloxy)ethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-olate

Systemtic Name: (5S,8R,9S,10R,13R,14S,17S)-17-[(1S)-1-(2,2-dimethylpropanoyloxy)ethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-olate Openeye Name: (5S,8R,9S,10R,13R,14S,17S)-17-[(1S)-1-(2,2-dimethylpropanoyloxy)ethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-olate CAS Name: (5S,8R,9S,10R,13R,14S,17S)-17-[(1S)-1-(2,2-dimethyl-1-oxopropoxy)ethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-olate IUPAC Name: (5S,8R,9S,10R,13R,14S,17S)-17-[(1S)-1-(2,2-dimethylpropanoyloxy)ethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-olate Traditional Name: (5S,8R,9S,10R,13R,14S,17S)-13-methyl-10-methylol-17-[(1S)-1-pivaloyloxyethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-olate Formula: C26H43O4- MolecularWeight: 419.61722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C1(CCC3C2CCC4C3(CCCC4)CO)C)[O-])OC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H]([C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)CO)C)[O-])OC(=O)C(C)(C)C

InChI

InChI=1S/C26H43O4/c1-17(30-22(28)23(2,3)4)19-12-15-26(29)21-10-9-18-8-6-7-13-25(18,16-27)20(21)11-14-24(19,26)5/h17-21,27H,6-16H2,1-5H3/q-1/t17-,18-,19+,20-,21+,24+,25+,26-/m0/s1