12-oleanaen-3beta-caffeate
Compound with spectra: 1 NMR
| SpectraBase Compound ID | BslZ4JU914H |
|---|---|
| InChI | InChI=1S/C39H56O4/c1-34(2)19-20-36(5)21-22-38(7)26(27(36)24-34)11-13-31-37(6)17-16-32(35(3,4)30(37)15-18-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-12,14,23,27,30-32,40-41H,13,15-22,24H2,1-8H3/b14-10+/t27-,30-,31+,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | WMLHHOMSBSMPKW-BOEORNCCSA-N |
| Mol Weight | 588.9 g/mol |
| Molecular Formula | C39H56O4 |
| Exact Mass | 588.41786 g/mol |
| Enantiomer InChIKey | WMLHHOMSBSMPKW-AJTTUUIDSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Title | Journal or Book | Year |
|---|---|---|
| Chemical Constituents of the Aerial Part ofCelastrus Hypoleucus | Journal of the Chinese Chemical Society | 2002 |
This compound is available in the following databases:
Wiley Registry of Mass Spectral Data 2023
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.