beta-Liriodenolide
[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
Also Known As: beta-Liriodenolide|Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-|Naphtho[1,2-b]furan-2(3H)-one,4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-,(3ar,4r,5ar,6r,9as,9br)-|6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate|(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate|[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.14673 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Monoisotopic Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 69845-02-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H](CCC(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)O)C |
| InChIKey | REKMRDLPINOZME-MMCSFCSJSA-N |
Product Overview
beta-Liriodenolide (CAS 69845-02-9), with molecular formula C17H22O5 and molecular weight 306.14673 g/mol. IUPAC: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate.
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