3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
(3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Alloglucotoxigenin, Alloglaucotoxigenin, BRN 0056373, 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide, (3-beta,5-alpha,15-beta)-19-Oxo-3,14,15-trihydroxycard-20(22)-enolide, (8xi,9xi)-3beta,14,15beta-Trihydroxy-19-oxo-5alpha-card-20(22)-enolide, 5-alpha-Card-20(22)-enolide, 3-beta,14,15-beta-trihydroxy-19-oxo-, CARD-20(22)-ENOLIDE, 19-OXO-3,14,15-TRIHYDROXY-, (3-beta,5-alpha,15-beta)-, (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.21988 g/mol |
| LogP | 1.75 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 762 |
Chemical Identifiers
| CAS Number | 14155-65-8 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1([C@@H](C[C@@H]2C4=CC(=O)OC4)O)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O |
Product Overview
3,14,15-Trihydroxy-19-oxocard-20(22)-enolide (CAS 14155-65-8), with molecular formula C23H32O6 and molecular weight 404.21988 g/mol. IUPAC: (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
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