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

Systemtic Name: [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-methanoyl-13-methyl-3,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ethanoate Openeye Name: [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate CAS Name: acetic acid [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate Traditional Name: acetic acid [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-formyl-3,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester Formula: C25H34O8 MolecularWeight: 462.53266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C3CCC4(CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C=O)O)O)O

Isomeric SMILES

CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=CC(=O)OC5)C)C=O)O)O)O

InChI

InChI=1S/C25H34O8/c1-14(27)33-19-11-25(31)18-5-8-24(30)10-16(28)3-7-23(24,13-26)17(18)4-6-22(25,2)21(19)15-9-20(29)32-12-15/h9,13,16-19,21,28,30-31H,3-8,10-12H2,1-2H3/t16-,17-,18+,19-,21-,22+,23-,24-,25-/m0/s1