| SpectraBase Compound ID | Jy9Yt8kELn1 |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | WCGUUGGRBIKTOS-GPOJBZKASA-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 | LdBwcaU7lsn |
|---|---|
| Name | Ursolic acid |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
| Ionization Type | EI |
| Molecular Weight | 456.711 g/mol |
| SMILES | O[C@@]1(C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CC[C@]([C@@]5(C)[H])(C)[H])[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-06rt-1690100000-044439ffe2434fea02ce |
| Source of Spectrum | CN101664463A |
| Wiley ID | 1841474 |