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

Systemtic Name: [(3S,8R,10S,13R,14R,17R)-13-methyl-3,8,14-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ethanoate Openeye Name: [(3S,8R,10S,13R,14R,17R)-3,8,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate CAS Name: acetic acid [(3S,8R,10S,13R,14R,17R)-3,8,14-trihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ester IUPAC Name: [(3S,8R,10S,13R,14R,17R)-3,8,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate Traditional Name: acetic acid [(3S,8R,10S,13R,14R,17R)-3,8,14-trihydroxy-17-(6-ketopyran-3-yl)-13-methyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ester Formula: C26H34O7 MolecularWeight: 458.54396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(C=C1CCC3(C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O

Isomeric SMILES

CC(=O)OC[C@]12CC[C@@H](C=C1CC[C@]3(C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O

InChI

InChI=1S/C26H34O7/c1-16(27)33-15-24-10-6-19(28)13-18(24)5-11-25(30)21(24)8-9-23(2)20(7-12-26(23,25)31)17-3-4-22(29)32-14-17/h3-4,13-14,19-21,28,30-31H,5-12,15H2,1-2H3/t19-,20+,21?,23+,24+,25+,26+/m0/s1