| Phytochemical Name : 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate |
| PCNDIDOT0744 |
| Pubchem CID : 442263 |
| Molecular formula: C17H24O5 |
| Canonical SMILES : CC1C(C2C(CC(=C1CCCOC(=O)C)C)OC(=O)C2=C)O |
Synonymes : 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate|BRN 1292533|CHEBI:5942|DTXSID00955263|C09483|Q27106937|3-(4-Hydroxy-5,7-dimethyl-3-methylidene-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)propyl acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.140 |
| Log Po/w (XLOGP3) : 1.450 |
| Log Po/w (WLOGP) : 2.140 |
| Log Po/w (MLOGP) : 2.000 |
| Log Po/w (SILICOS-IT) : 2.700 |
| Consensus Log Po/w : 2.290 |