AFB-N7-ADENINE-ADDUCT
Compound with spectra: 1 NMR
| SpectraBase Compound ID | J8hd4e675cA |
|---|---|
| InChI | InChI=1S/C22H17N5O7/c1-31-9-4-10-13(17-12(9)7-2-3-8(28)11(7)21(30)33-17)14-16(29)20(34-22(14)32-10)27-6-26-19-15(27)18(23)24-5-25-19/h4-6,14,16,20,22,29H,2-3H2,1H3,(H2,23,24,25)/t14-,16-,20-,22+/m1/s1 |
| InChIKey | PXJQACCWTWYEKA-YKHKRFOZSA-N |
| Mol Weight | 463.41 g/mol |
| Molecular Formula | C22H17N5O7 |
| Exact Mass | 463.112798 g/mol |
| Enantiomer InChIKey | PXJQACCWTWYEKA-OZOIZYBVSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Title | Journal or Book | Year |
|---|---|---|
| Adenine Adduct of Aflatoxin B1 Epoxide | Journal of the American Chemical Society | 1994 |
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.