SpectraBase Compound ID | 83ioN2S509z |
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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 |
SpectraBase Spectrum ID | 13dYG7v5ZT9 |
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Name | Oleanolic acid |
Appearance | Colorless needle-like crystals |
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 |
Ionization Type | EI |
Molecular Weight | 456.711 g/mol |
SMILES | OC([C@]12[C@](C=3[C@]([C@]4([C@@]([C@@]5([C@](C([C@](CC5)(O)[H])(C)C)(CC4)[H])C)(CC3)[H])C)(CC1)C)(CC(CC2)(C)C)[H])=O |
SPLASH | splash10-06rt-1690100000-044439ffe2434fea02ce |
Source of Spectrum | CN101664463A |
Wiley ID | 1841475 |