(3S,10S,11S,13R,14S,17S)-3,11-diacetyloxy-10,13-dimethyl-14-oxidanyl-12-oxidanylidene-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: (3S,10S,11S,13R,14S,17S)-3,11-diacetyloxy-10,13-dimethyl-14-oxidanyl-12-oxidanylidene-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: (3S,10S,11S,13R,14S,17S)-3,11-diacetoxy-14-hydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: (3S,10S,11S,13R,14S,17S)-3,11-diacetyloxy-14-hydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: (3S,10S,11S,13R,14S,17S)-3,11-diacetyloxy-14-hydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: (3S,10S,11S,13R,14S,17S)-3,11-diacetoxy-14-hydroxy-12-keto-10,13-dimethyl-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Formula: C24H34O8 MolecularWeight: 450.52196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1)CCC3C2C(C(=O)C4(C3(CCC4C(=O)O)O)C)OC(=O)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C(C1)CCC3C2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C(=O)O)O)C)OC(=O)C)C

InChI

InChI=1S/C24H34O8/c1-12(25)31-15-7-9-22(3)14(11-15)5-6-16-18(22)19(32-13(2)26)20(27)23(4)17(21(28)29)8-10-24(16,23)30/h14-19,30H,5-11H2,1-4H3,(H,28,29)/t14?,15-,16?,17+,18?,19-,22-,23-,24-/m0/s1