BETULIN-3-BETA-CAFFEATE
Compound with spectra: 3 NMR
| SpectraBase Compound ID | HRPKTRMcdL6 |
|---|---|
| InChI | InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1 |
| InChIKey | VOQSZICWRNPAMF-IUGYEWCASA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C39H56O5 |
| Exact Mass | 604.412775 g/mol |
| Enantiomer InChIKey | VOQSZICWRNPAMF-KODJTQMDSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
- LUP-20(29)-EN-28-OL-3-BETA-YL-CAFFEATE;BETULIN-3-BETA-YL-CAFFEATE
- Lup-20(29)-en-28-ol-3.beta.-yl-caffeate
| Title | Journal or Book | Year |
|---|---|---|
| Triterpene caffeoyl esters and diterpenes from Celastrus stephanotifolius | Phytochemistry | 1999 |
| Triterpene caffeates from bark of Betula pubescens | Phytochemistry | 1994 |
| Betulin-3-Caffeate from Quercus suber, 13C-nmr Spectra of Some Lupenes | Journal of Natural Products | 1988 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.