rel-(3aR,5aS,9aR)-9-hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
Chemical Structure Depiction of
rel-(3aR,5aS,9aR)-9-hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
rel-(3aR,5aS,9aR)-9-hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
Compound characteristics
| Compound ID: | N002-0015 |
| Compound Name: | rel-(3aR,5aS,9aR)-9-hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione |
| Molecular Weight: | 266.34 |
| Molecular Formula: | C15 H22 O4 |
| Smiles: | [H][C@]12CC[C@@]3(C)C(CCC(C)([C@]3([H])C2OC(C1C)=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5244 |
| logD: | 1.5244 |
| logSw: | -2.2067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.135 |
| InChI Key: | SMEJXMYNQKQENF-UHFFFAOYSA-N |