Acovenoside A
3-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-1,14-dihydroxy-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: Acovenoside A, EINECS 211-555-5, BRN 0070810, 4-18-00-02431 (Beilstein Handbook Reference), Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-talopyranosyl)oxy)-1,14-dihydroxy-, (1beta,3beta,5beta)-, (1beta,3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L-talopyranosyl)oxy)-1,14-dihydroxycard-20(22)-enolide, (1beta,3beta,5beta)-3-[(6-deoxy-3-O-methyl-alpha-L-talopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide, 3-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-1,14-dihydroxy-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, 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-talopyranosyl)oxy)-1-beta,14-dihydroxy-, Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-.alpha.-L-talopyranosyl)oxy]-1,14-dihydroxy-, (1.beta.,3.beta.,5.beta.)-
| Molecular Formula | C30H46O9 |
|---|---|
| Molecular Weight | 550.3142 g/mol |
| LogP | 2.08 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.3142 |
| Heavy Atoms | 39 |
| Complexity | 1000 |
Chemical Identifiers
| CAS Number | 663-95-6 |
|---|---|
| SMILES | CC1[C@@H](C(C([C@H](O1)O[C@@H]2C[C@H]3CCC4C([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O |
Product Overview
Acovenoside A (CAS 663-95-6), with molecular formula C30H46O9 and molecular weight 550.3142 g/mol. IUPAC: 3-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-1,14-dihydroxy-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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