28-Oxyallobetulin acetate
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 3pk9LYEOb0Q |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-19(33)35-23-12-13-29(6)21(28(23,4)5)11-14-31(8)22(29)10-9-20-24-25-27(2,3)15-17-32(24,26(34)36-25)18-16-30(20,31)7/h20-25H,9-18H2,1-8H3/t20-,21?,22-,23+,24+,25-,29+,30-,31-,32+/m1/s1 |
| InChIKey | LRSKMNLPUCXLLZ-IIQBEFPESA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
| Enantiomer InChIKey | LRSKMNLPUCXLLZ-NMULVCRCSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KC-0-3963-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Title | Journal or Book | Year |
|---|---|---|
| Simple synthesis of allobetulin, 28-oxyallobetulin and related biomarkers from betulin and betulinic acid catalysed by solid acids | Journal of the Chemical Society, Perkin Transactions 1 | 1998 |
Wiley Registry of Mass Spectral Data 12th Edition
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.