3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide
(3S,5S,10S,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-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]phenanthrene-10-carbaldehyde
Also Known As: Antiarigenin, BRN 0061056, 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-beta,5,12-beta,14-Tetrahydroxy-19-oxo-5-beta-card-20(22)-enolide, (8xi,9xi)-3beta,5,12beta,14-Tetrahydroxy-19-oxo-5beta-card-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,12-beta,14-TETRAHYDROXY-19-OXO-, Card-20(22)-enolide, 3,5,12,14-tetrahydroxy-19-oxo-, (3-beta,5-beta,12-beta)-, (3S,5S,10S,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-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]phenanthrene-10-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 | 749-72-4 |
|---|---|
| SMILES | C[C@@]12[C@H](CC[C@@]1(C3CC[C@@]4(C[C@H](CC[C@@]4(C3C[C@H]2O)C=O)O)O)O)C5=CC(=O)OC5 |
Product Overview
3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide (CAS 749-72-4), with molecular formula C23H32O7 and molecular weight 420.2148 g/mol. IUPAC: (3S,5S,10S,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-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]phenanthrene-10-carbaldehyde.
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