Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
Also Known As: Dihydrodigitoxigenin|20,22-Dihydrodigitoxigenin|20,22-Dihydro-digitoxigenin|(5beta)-3beta,14-Dihydroxycardanolide|3,14-Dihydroxycardanolide|EINECS 224-612-4|3beta,14-Dihydroxy-5beta-cardanolide|5-beta-Cardanolide, 3-beta,14-dihydroxy-|Cardanolide, 3,14-dihydroxy-, (3-beta,5-beta)-|Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-|5-beta-Cardanolide, 3-beta,14-dihydroxy- (6CI,7CI,8CI)|(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one|(4R)-4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxolan-2-one|224-612-4|Dihydrodigitoxigenin; (5beta)-3beta,14-Dihydroxycardanolide; 3beta,14-Dihydroxy-5beta-cardanolide; (3beta,5beta)-3,14-Dihydroxy-cardanolide
| Molecular Formula | C23H36O4 |
|---|---|
| Molecular Weight | 376.26135 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.26135 |
| Heavy Atoms | 27 |
| Complexity | 633.9 |
Chemical Identifiers
| CAS Number | 4427-85-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4[C@H]5CC(=O)OC5)O)C)O |
Product Overview
Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- (CAS 4427-85-4), with molecular formula C23H36O4 and molecular weight 376.26135 g/mol. IUPAC: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one.
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