3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide
(3S,5S,8R,10R,13S,14S)-3,5,11,14-tetrahydroxy-10-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
Also Known As: Canescegenin, Canescegenine, Sarmentosigenin A, NIGRESCIGENIN, BRN 0059989, 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide, 5-beta-Card-20(22)-enolide, 3-beta,5,11-alpha,14-tetrahydroxy-19-oxo-, (9xi,17xi)-3beta,5,11,14-Tetrahydroxy-18-oxo-5beta-card-20(22)-enolide, Card-20(22)-enolide, 3,5,11,14-tetrahydroxy-19-oxo-, (3-beta,5-beta,11-alpha)-, (3S,5S,8R,10R,13S,14S)-3,5,11,14-tetrahydroxy-10-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
| Molecular Formula | C23H32O7 |
|---|---|
| Molecular Weight | 420.2148 g/mol |
| LogP | 0.87 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.2148 |
| Heavy Atoms | 30 |
| Complexity | 809 |
Chemical Identifiers
| CAS Number | 6785-70-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3C2C(C[C@]4([C@@]3(CCC4C5=CC(=O)OC5)O)C=O)O)O)O |
Product Overview
3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide (CAS 6785-70-2), with molecular formula C23H32O7 and molecular weight 420.2148 g/mol. IUPAC: (3S,5S,8R,10R,13S,14S)-3,5,11,14-tetrahydroxy-10-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde.
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