rel-(3R,5aS,9bR)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Chemical Structure Depiction of
rel-(3R,5aS,9bR)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
rel-(3R,5aS,9bR)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Compound characteristics
| Compound ID: | 0115-0004 |
| Compound Name: | rel-(3R,5aS,9bR)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione |
| Molecular Weight: | 246.3 |
| Molecular Formula: | C15 H18 O3 |
| Smiles: | [H][C@@]12C(CC[C@@]3(C)C=CC(C(C)=C13)=O)[C@@H](C)C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9917 |
| logD: | 1.9917 |
| logSw: | -2.9616 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.81 |
| InChI Key: | XJHDMGJURBVLLE-VPOPLXOJSA-N |