| Phytochemical Name : Shiromodiol diacetate |
| PCNDIDS0102 |
| Pubchem CID : 13559439 |
| Molecular formula: C19H30O5 |
| Canonical SMILES : CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C |
Synonymes : Shiromodiol diacetate|20071-58-3|CHEBI:9136|NSC707626|NSC-707626|C09725|[(1S,2R,3R,4S,6E,10S)-2-acetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] acetate|CHEMBL1980398|DTXSID20543843|Q27108287|(1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(propan-2-yl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate|[(1S,2R,3R,4S,6E,10S)-2-acetoxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.940 |
| Log Po/w (XLOGP3) : 3.100 |
| Log Po/w (WLOGP) : 3.410 |
| Log Po/w (MLOGP) : 2.560 |
| Log Po/w (SILICOS-IT) : 3.170 |
| Consensus Log Po/w : 3.040 |