| 2D Structure | |
| CID | 92157 |
| Target | / |
| IUPAC Name | [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate |
| InChI | InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1 |
| InChI Key | ODSSDTBFHAYYMD-YOJQYFTNSA-N |
| Canonical SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
| Isomeric SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C |
| Molecular Formula | C32H52O2 |
| Molecular Weight | 468.8 |
| synonyms | ['Lupeol acetate', 'Lupeyl acetate', '3-Acetyllupeol', '1617-68-1', 'LUPENYL ACETATE', 'Acetyllupeol', 'UNII-WJ3A89G0H6', 'CLERODOL ACETATE', 'EINECS 216-575-8', 'NSC 281806', 'LUPEOL ACETATE [MI]', 'Lup-20(29)-en-3-ol, acetate, (3beta)-', 'Lup-20(29)-en-3-ol, acetate, (3.beta.)-', 'NSC-281806', '3.BETA.-OAC-20(29)-LUPENE', 'LUP-20(29)-EN-3.BETA.-YL ACETATE', '20(29)-Lupenol acetate', 'LUP-20(30)-EN-3.BETA.-OL, ACETATE', 'Lupeol acetic acid', 'Lupeyl acetic acid', '3BETA-OAC-20(29)-LUPENE', 'LUP-20(29)-EN-3BETA-YL ACETATE', 'LUP-20(30)-EN-3BETA-OL, ACETATE', '216-575-8', 'odssdtbfhayymd-gomfnvqhsa-n', 'odssdtbfhayymd-uhfffaoysa-n', '3-O-Acetyllupeol', 'WJ3A89G0H6', 'CHEBI:69744', 'Lup-20(29)-en-3.beta.-ol, acetate', '[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate', 'MFCD00017362', 'SCHEMBL936136', 'CHEMBL453802', 'ODSSDTBFHAYYMD-YOJQYFTNSA-N', 'Lup-20(29)-en-3beta-ol, acetate', 'AKOS040760532', 'FL65634', 'LMPR0106130002', 'MS-28664', 'HY-126114', 'CS-0090571', 'NS00045939', 'C08630', 'Q27104976', '[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate', 'Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester'] |
From Pubchem