| Phytochemical Name : Epilupeol acetate |
| PCNDIDE0037 |
| Pubchem CID : 21155869 |
| Molecular formula: C32H52O2 |
| Canonical SMILES : CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
Synonymes : Epilupeol acetate|3-O-Acetylepilupeol|Lup-20(29)-en-3-ol, acetate, (3alpha)-|6610-54-4|3-Epilupenyl acetateacetate|Isolupenyl acetate|AKOS040751701|[(1R,3Ar,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.890 |
| Log Po/w (XLOGP3) : 10.450 |
| Log Po/w (WLOGP) : 8.600 |
| Log Po/w (MLOGP) : 7.080 |
| Log Po/w (SILICOS-IT) : 7.330 |
| Consensus Log Po/w : 7.670 |