rel-(3aR,4aR,5R,7S,7aS)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-7-yl acetate
Chemical Structure Depiction of
rel-(3aR,4aR,5R,7S,7aS)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-7-yl acetate
rel-(3aR,4aR,5R,7S,7aS)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-7-yl acetate
Compound characteristics
| Compound ID: | N002-0028 |
| Compound Name: | rel-(3aR,4aR,5R,7S,7aS)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-7-yl acetate |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C17 H22 O5 |
| Smiles: | [H][C@]12C(C)=CC3[C@H](C[C@@]2([H])[C@@](C)(C[C@@H]1OC(C)=O)O)C(=C)C(=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5579 |
| logD: | 1.5579 |
| logSw: | -2.0877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.176 |
| InChI Key: | UTPGJEROJZHISI-HZSLZJIKSA-N |