| Phytochemical Name : 3-O-Acetyloleanolic acid |
| PCNDIDOT0797 |
| Pubchem CID : 151202 |
| Molecular formula: C32H50O4 |
| Canonical SMILES : CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C |
Synonymes : 3-O-Acetyloleanolic acid|4339-72-4|Oleanolic acid 3-acetate|Acetyl oleanolic acid|3-?O-?Acetyloleanolic acid|Acetyloleanolic acid|C32H50O4|(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|3-Acetyloleanolic acid|Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)-|(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid|3--cetyloleanolic acid|Olean-12-en-28-oic acid, 3.beta.-hydroxy-, acetate|Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3.beta.)-|SCHEMBL828971|CHEMBL486822|DTXSID20963002|3beta-acetoxyolean-12-en-28-acid|HY-N2618|BDBM50102741|MFCD09752429|AKOS016036262|3-(Acetyloxy)olean-12-en-28-oic acid|AC-34649|BS-16825|CS-0023022|C75167|A872702|3-O-Acetyloleanolic acid; 3beta-3-Acetoxyolean-12-en-28-oic acid|(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.970 |
| Log Po/w (XLOGP3) : 8.060 |
| Log Po/w (WLOGP) : 7.800 |
| Log Po/w (MLOGP) : 6.060 |
| Log Po/w (SILICOS-IT) : 6.360 |
| Consensus Log Po/w : 6.450 |