| SpectraBase Compound ID | 83ioN2S509z |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JIytWgahK1L |
|---|---|
| Name | Oleanolic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC([C@@]12[C@](C=3[C@]([C@]4([C@@]([C@]5(CC[C@@](C([C@@]5(CC4)[H])(C)C)(O)[H])C)(CC3)[H])C)(CC2)C)(CC(CC1)(C)C)[H])=O |
| SPLASH | splash10-0f6t-0090500000-f2afe1786224b9e16ed4 |
| Source of Spectrum | QA-49-272-8 |
| Synonyms | (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-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 |
| Wiley ID | 1795590 |