Gitoxigenin
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Gitoxigenin|16beta-Hydroxydigitoxigenin|16beta-Hydroxydisitoxigenin|GITOXIGENIN [MI]|16-beta-Hydroxydigitoxigenin|16.beta.-Hydroxydigitoxigenin|16.beta.-Hydroxydisitoxigenin|EINECS 208-886-2|MEGxp0_001900|CS334|3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide|HY-W127509|3-beta,14,16-Trioxycarden-(20:22)-olid|NCI60_003893|3-beta,14,16-Trioxy-digen-(20:22)-olid|5-18-04-00385 (Beilstein Handbook Reference)|3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|3-beta,14,16-Trioxy-digen-(20:22)-olid [German]|3-beta,14,16-Trioxycarden-(20:22)-olid [German]|CARDOGENEN-(20:22)-TRIOL-(3-beta,14,16)|Cardogenen-(20:22)-triol-(3-beta,14,16) [German]
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24063 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.24063 |
| Monoisotopic Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 545-26-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O |
| InChIKey | PVAMXWLZJKTXFW-VQMOFDJESA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gitoxigenin (CAS 545-26-6), with molecular formula C23H34O5 and molecular weight 390.24063 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
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