[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-methanoyl-13-methyl-3,5,14-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ethanoate

Systemtic Name: [(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-methanoyl-13-methyl-3,5,14-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ethanoate Openeye Name: [(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate CAS Name: acetic acid [(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ester IUPAC Name: [(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate Traditional Name: acetic acid [(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-17-(6-ketopyran-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ester Formula: C26H34O8 MolecularWeight: 474.54336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC2(C1(C3CCC4(C(CCC4(C3CC2)O)C5=COC(=O)C=C5)C)C=O)O)O

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H](C[C@@]2([C@]1([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC2)O)C5=COC(=O)C=C5)C)C=O)O)O

InChI

InChI=1S/C26H34O8/c1-15(28)34-21-11-17(29)12-24(31)9-6-20-19(25(21,24)14-27)5-8-23(2)18(7-10-26(20,23)32)16-3-4-22(30)33-13-16/h3-4,13-14,17-21,29,31-32H,5-12H2,1-2H3/t17-,18+,19-,20+,21+,23+,24-,25-,26-/m0/s1