rel-(3aR,5aS,9S,9aR,9bR)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
Chemical Structure Depiction of
rel-(3aR,5aS,9S,9aR,9bR)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
rel-(3aR,5aS,9S,9aR,9bR)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
Compound characteristics
| Compound ID: | 0115-0011 |
| Compound Name: | rel-(3aR,5aS,9S,9aR,9bR)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione |
| Molecular Weight: | 264.32 |
| Molecular Formula: | C15 H20 O4 |
| Smiles: | [H][C@@]12[C@@H]3[C@@H](CC[C@@]1(C)C(C=C[C@@]2(C)O)=O)[C@H](C)C(=O)O3 |
| Stereo: | RELATIVE |
| logP: | 1.4984 |
| logD: | 1.4984 |
| logSw: | -2.1974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.135 |
| InChI Key: | NGPDZEACIWDCKX-DYLBMRNYSA-N |