| SpectraBase Compound ID | 5LtqNw3PDe1 |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)16-19-18-15-20(31)24-28(6)11-10-22(32)26(3,4)21(28)9-12-30(24,8)29(18,7)14-13-27(19,5)17-23(25)33/h15,19-21,23-24,31,33H,9-14,16-17H2,1-8H3/t19-,20-,21-,23-,24+,27-,28-,29+,30+/m0/s1 |
| InChIKey | SJSQJWPYOVMRAP-QAJZNANDSA-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 | 2GLTeXYZW0m |
|---|---|
| Name | 11-BETA,21-BETA-DIHYDROXY-OLEAN-12-ENE-3-ONA |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)16-19-18-15-20(31)24-28(6)11-10-22(32)26(3,4)21(28)9-12-30(24,8)29(18,7)14-13-27(19,5)17-23(25)33/h15,19-21,23-24,31,33H,9-14,16-17H2,1-8H3/t19-,20-,21-,23-,24+,27-,28-,29+,30+/m0/s1 |
| InChIKey | SJSQJWPYOVMRAP-QAJZNANDSA-N |
| Literature Reference Author | D.CACERES-CASTILLO,G.J.MENA-REJON,R.CEDILLO-RIVERA,L.QUIJANO |
| Literature Reference Citation | PHYTOCHEM.,69,1057(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.10.016 |
| Molecular Weight | 456.709 g/mol |
| Sample ID | 43285 |
| Solvent | CDCl3 |