3-O-Acetyloleanolic Acid
(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
Also Known As: 3-O-Acetyloleanolic acid|Oleanolic acid 3-acetate|Acetyl oleanolic acid|2-furilmonoxime|Acetyloleanolic acid|Oleanolic acid acetate|3-Acetyloleanolic acid|acetyl oleanic acid|Oleanolic acid deriv.|Oleanolicacid3-acetate|3--cetyloleanolic acid|3-O-Acetyloleanolicacid|3-acetyl oleanolic acid|3-?O-?Acetyloleanolic acid|oleanic acid 3-O-acetate|3-O-acetyl oleanolic acid|Oleanolic acid 3-O-acetate|3beta-O-acetyloleanolic acid|3beta-acetoxyolean-12-en-28-acid|HY-N2618|NP6790|3beta-acetoxyolean-12-en-28-oic acid|3-(Acetyloxy)olean-12-en-28-oic acid|3beta-Acetyloxyolean-12-en-28-oic acid|SID:172125890|3beta-(Acetyloxy)olean-12-en-28-oic acid
| Molecular Formula | C32H50O4 |
|---|---|
| Molecular Weight | 498.3709 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.3709 |
| Monoisotopic Mass | 498.3709 |
| Heavy Atoms | 36 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 4339-72-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C |
| InChIKey | RIXNFYQZWDGQAE-DFHVBEEKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-O-Acetyloleanolic Acid (CAS 4339-72-4), with molecular formula C32H50O4 and molecular weight 498.3709 g/mol. IUPAC: (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.