rel-(3aR,4S,6R,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl acetate
Chemical Structure Depiction of
rel-(3aR,4S,6R,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl acetate
rel-(3aR,4S,6R,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl acetate
Compound characteristics
| Compound ID: | N042-0026 |
| Compound Name: | rel-(3aR,4S,6R,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl acetate |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C17 H22 O5 |
| Smiles: | CC1=CCC2C1[C@@H]1[C@H](C(=C)C(=O)O1)[C@H](C[C@@]2(C)O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6929 |
| logD: | 1.6929 |
| logSw: | -2.222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.792 |
| InChI Key: | XMJROHDIQQOWTO-AIGYUTRDSA-N |