| 2D Structure | |
| CID | 92156 |
| Target | / |
| IUPAC Name | [(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] acetate |
| InChI | InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1 |
| InChI Key | UMRPOGLIBDXFNK-ZYGITSNFSA-N |
| Canonical SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
| Isomeric 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)C)C)C |
| Molecular Formula | C32H52O2 |
| Molecular Weight | 468.8 |
| synonyms | ['beta-Amyrin acetate', '1616-93-9', 'Beta-Amyrinacetate', 'beta-Amyrenyl acetate', 'Germanicol 3-Acetate', 'O-Acetyl-beta-amyrin', '3-O-Acetyl-beta-amyrin', 'UNII-AM1H7102OC', 'AMYRIN, ACETATE, B-', 'AM1H7102OC', '.beta.-Amyrin acetate', 'Olean-12-en-3-ol, 3-acetate, (3beta)-', 'NSC 403166', '[(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] acetate', 'Olean-12-en-3beta-ol, acetate', 'NSC-403166', 'Olean-12-en-3-ol, acetate, (3beta)-', '.beta.-Amyrin 3-acetate', 'Olean-12-en-3-ol, acetate, (3.beta.)-', '3.beta.-Acetoxyolean-12-ene', 'OLEAN-12-EN-3-OL, 3-ACETATE, (3.BETA.)-', 'B-Amyrin acetate', 'Olean-12-en-3.beta.-ol, acetate', '(3beta)-olean-12-en-3-yl acetate', '.beta.-Amyrenyl acetate', 'O-Acetyl-.beta.-amyrin', '3-O-Acetyl-.beta.-amyrin', '((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) acetate', 'b-Amyrin acetic acid', 'beta-Amyrin 3-acetate', 'Olean-12-en-3beta-ol, acetate (8CI)', 'beta-Amyrin acetic acid', '3beta-Acetoxyolean-12-ene', 'Olean-12-en-3-ol, acetate, (3beta)-(9CI)', 'umrpoglibdxfnk-lirmyxoksa-n', 'umrpoglibdxfnk-uhfffaoysa-n', 'CHEMBL489760', 'CHEBI:190930', 'EX-A6673', 'HY-N2923', 'BDBM50260203', 'MSK195201', 'AKOS040760296', 'Olean-12-en-3-ol, acetate, (3)-', 'AC-37067', 'DA-51060', 'MS-28662', 'CS-0023529', 'Olean-12-en-3-ol, 3-acetate, (3|A)-', 'Q27273993'] |
From Pubchem