SpectraBase Compound ID | Jy9Yt8kELn1 |
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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 |
SpectraBase Spectrum ID | DBXLoYJbJNC |
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Name | Ursolic acid |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 301728 |
CAS Registry Number | 77-52-1 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 |
Observed nucleus | 13C |
Purity | >=90% |
Solvent | CDCl3 & DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 3beta-Hydroxy-12-ursen-28-ic acid |
Wiley ID | SIAL_13CNMR_005908 |