| Phytochemical Name : beta-Amyrin palmitate |
| PCNDIDB0058 |
| Pubchem CID : 13915599 |
| Molecular formula: C46H80O2 |
| Canonical SMILES : CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
Synonymes : beta-Amyrin palmitate|Amyrin palmitate|5973-06-8|Balanophorin A|CHEMBL455449|HY-N2924|AKOS032962191|CS-0023530|[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 8.080 |
| Log Po/w (XLOGP3) : 17.050 |
| Log Po/w (WLOGP) : 14.200 |
| Log Po/w (MLOGP) : 9.500 |
| Log Po/w (SILICOS-IT) : 13.290 |
| Consensus Log Po/w : 12.420 |