| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9haqbGY0MeN |
|---|---|
| Name | URSOLIC-ACID;3-BETA-HYDROXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | M.D.V.SILVA,I.G.P.VIEIRA,F.N.P.MENDES,I.L.ALBUQUERQUE,R.N.D. SANTOS,F.O.SILVA,S.M |
| Literature Reference Citation | MOLECULES,13,2482(2008) |
| Literature Reference DOI | 10.3390/molecules13102482 |
| Molecular Weight | 456.709 g/mol |
| Sample ID | 56817 |
| Solvent | DMSO-D6 |