| Phytochemical Name : alpha-Amyrin palmitate |
| PCNDIDA0076 |
| Pubchem CID : 10394654 |
| Molecular formula: C46H80O2 |
| Canonical SMILES : CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4C(C(CC5)C)C)C)C)C)C |
Synonymes : alpha-Amyrin palmitate|22255-10-3|[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate|alpha-Amyryl hexadecanoate|Urs-12-en-3beta-ol palmitate|C46-H80-O2|Urs-12-en-3-ol, 3-hexadecanoate, (3|A)-|SCHEMBL4426242|CHEBI:176284|EX-A7101|HY-N2843|AKOS040761338|Urs-12-en-3-ol, hexadecanoate, (3)-|CS-0023419|(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl palmitate|Urs-12-en-3-ol, palmitate ; 3-Palmitoyl--amyrin; -Amyrin hexadecanoate; -Amyrin palmitate; -Amyryl hexadecanoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 8.080 |
| Log Po/w (XLOGP3) : 16.910 |
| Log Po/w (WLOGP) : 14.060 |
| Log Po/w (MLOGP) : 9.500 |
| Log Po/w (SILICOS-IT) : 12.890 |
| Consensus Log Po/w : 12.290 |