ASSAFOETIDNOL-B-DI-PARA-BROMOBENZOATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | IeGNjgjb8qu |
|---|---|
| InChI | InChI=1S/C40H38Br2O9/c1-22-30(21-47-29-16-10-24-11-17-33(44)49-31(24)20-29)40(5)19-18-32(48-23(2)43)39(3,4)36(40)35(51-38(46)26-8-14-28(42)15-9-26)34(22)50-37(45)25-6-12-27(41)13-7-25/h6-17,20,30,32,34-36H,1,18-19,21H2,2-5H3/t30-,32-,34-,35+,36+,40-/m1/s1 |
| InChIKey | RKYZLLHZAUQGFC-RMTGXFNQSA-N |
| Mol Weight | 822.5 g/mol |
| Molecular Formula | C40H38Br2O9 |
| Exact Mass | 820.088259 g/mol |
| Enantiomer InChIKey | RKYZLLHZAUQGFC-UNZINPSJSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Title | Journal or Book | Year |
|---|---|---|
| Sesquiterpene coumarins from the roots of Ferula assa-foetida | Phytochemistry | 2001 |
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.