1H NMR data of hesperetin and the metabolite (identified as hesperetin 3′-O-sulfate) formed in the incubation mixture of hesperetin with specific SULT isoforms and human small intestinal cytosol and PAPS
The differences in chemical shift values of the protons in the metabolite compared with the chemical shift values of the same protons in hesperetin are given in parentheses.
| Compound | H6 | H8 | H3 a | H3 b | H2 | H2′ | H5′ | H6′ |
|---|---|---|---|---|---|---|---|---|
| Hesperetin | ||||||||
| 1H NMR chemical shift (ppm) | 5.91 | 5.95 | 3.11 | 2.74 | 5.36 | 6.98 | 6.96 | 6.94 |
| J (Hz) | 2.2 | 2.2 | 17.0; 12.9 | 17.0; 3.0 | 12.9; 3.0 | 1.7 | 8.4 | 1.7; 8.4 |
| Peak splitting | d | d | dd | dd | dd | d | d | dd |
| Metabolite | ||||||||
| 1H NMR chemical shift (ppm) | 5.91 | 5.95 | 3.10 (−0.01) | 2.80 (+0.06) | 5.41 (+0.05) | 7.64 (+0.66) | 7.08 (+0.12) | 7.27 (+0.33) |
| J (Hz) | 2.1 | 2.1 | 17.1; 12.9 | 17.1; 3.0 | 12.9; 3.0 | 2.1 | 8.4 | 2.1; 8.4 |
| Peak splitting | d | d | dd | dd | dd | d | d | dd |
d, doublet; dd, doublet of doublets.