1,3,14-Trihydroxycard-20(22)-enolide
3-[(1R,3R,5R,10S,13R,14S,17R)-1,3,14-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: Acovenosigenin, Acovenosigenin A, 1-beta-Hydroxydigitoxigenin, 1,3,14-Trihydroxycard-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 1-beta,3-beta,14-TRIHYDROXY-, (8xi,9xi)-1beta,3beta,14-Trihydroxy-5beta-card-20(22)-enolide, 5.beta.-Card-20(22)-enolide, 1.beta.,3.beta.,14-trihydroxy-, Card-20(22)-enolide, 1,3,14-trihydroxy-, (1.beta.,3.beta.,5.beta.)-, 3-[(1R,3R,5R,10S,13R,14S,17R)-1,3,14-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
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24063 g/mol |
| LogP | 2.58 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 717 |
Chemical Identifiers
| CAS Number | 639-15-6 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@H]5[C@@]3([C@@H](C[C@@H](C5)O)O)C |
Product Overview
1,3,14-Trihydroxycard-20(22)-enolide (CAS 639-15-6), with molecular formula C23H34O5 and molecular weight 390.24063 g/mol. IUPAC: 3-[(1R,3R,5R,10S,13R,14S,17R)-1,3,14-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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