[(8S,9S,10R,11S,13R,14S,17S)-13-methanoyl-10-methyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] ethanoate

Systemtic Name: [(8S,9S,10R,11S,13R,14S,17S)-13-methanoyl-10-methyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] ethanoate Openeye Name: [(8S,9S,10R,11S,13R,14S,17S)-13-formyl-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate CAS Name: acetic acid [(8S,9S,10R,11S,13R,14S,17S)-13-formyl-17-(2-hydroxy-1-oxoethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(8S,9S,10R,11S,13R,14S,17S)-13-formyl-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate Traditional Name: acetic acid [(8S,9S,10R,11S,13R,14S,17S)-13-formyl-17-glycoloyl-3-keto-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C23H30O6 MolecularWeight: 402.4807

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C(CCC2C(=O)CO)C3C1C4(CCC(=O)C=C4CC3)C)C=O

Isomeric SMILES

CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]2C(=O)CO)[C@H]3[C@H]1[C@]4(CCC(=O)C=C4CC3)C)C=O

InChI

InChI=1S/C23H30O6/c1-13(26)29-20-10-23(12-25)17(5-6-18(23)19(28)11-24)16-4-3-14-9-15(27)7-8-22(14,2)21(16)20/h9,12,16-18,20-21,24H,3-8,10-11H2,1-2H3/t16-,17-,18+,20-,21+,22-,23+/m0/s1