3,14-Dihydroxy-12-oxocard-20(22)-enolide
3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 12-Dehydrodigoxigenin, BRN 1300407, 3,14-Dihydroxy-12-oxocard-20(22)-enolide, 3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide, (8xi,9xi)-3beta,14-Dihydroxy-12-oxo-5beta-card-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-12-OXO-, 3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22498 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 758 |
Chemical Identifiers
| CAS Number | 2842-85-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O |
Product Overview
3,14-Dihydroxy-12-oxocard-20(22)-enolide (CAS 2842-85-5), with molecular formula C23H32O5 and molecular weight 388.22498 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
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