| SpectraBase Compound ID | JTQAPyV9xDC |
|---|---|
| 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-/m0/s1 |
| InChIKey | WCGUUGGRBIKTOS-RRHGHHQTSA-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 | 9VAOkboNiK4 |
|---|---|
| Name | 3-BETA-HYDROXY-URS-12-ENE-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-/m0/s1 |
| InChIKey | WCGUUGGRBIKTOS-RRHGHHQTSA-N |
| Literature Reference Author | D.G.DURHAM,X.LIU,R.M.E.RICHARDS |
| Literature Reference Citation | PHYTOCHEM.,36,1469(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89744-7 |
| Molecular Weight | 456.709 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26414 |