TABLE 3
Proton (1H NMR) and carbon chemical shifts (13C NMR for parent and heteronuclear multiple quantum coherence for conjugates) of compound 2 and its two GSH conjugates (GSH2-3 and GSH2-4)
The proposed structure of GSH2-3 (Z) is shown below. The numbering system is for illustrative purposes only and does not correspond to International Union of Pure and Applied Chemistry nomenclature.
| δH ppm | δC ppm | ||||||
|---|---|---|---|---|---|---|---|
| Position | Compound 2 | GSH2-3 | GSH2-4 | Compound 2 | GSH2-3 | GSH2-4 | |
| 3 | 8.59–8.47 | 8.54 | 8.53 | NA | NA | NA | |
| 4 | 4.93 | 4.92 | 4.90 | 63.7 | 64.2 | 64.1 | |
| 5 | 5.59 | 5.62 | 5.79 | 81.9 | 82.2 | 81.2 | |
| 7 | 7.51 | 7.54 | 7.54 | 128.5 | 129.0 | 128.6 | |
| 8 | 7.29 | 7.26 | 7.32 | 115.7 | 116.4 | 116.1 | |
| 10 | 7.29 | 7.26 | 7.32 | 115.7 | 116.4 | 116.1 | |
| 11 | 7.51 | 7.53 | 7.54 | 128.5 | 129.0 | 128.6 | |
 | 15 | 7.76 | 7.67 | 7.57 | 127.6 | 123.4 | 124.4 |
| 16 | 8.00 | 8.00 | 7.87 | 138.4 | 139.0 | 137.9 | |
| 17 | 7.60–7.57 | 7.47 | 7.54 | 122.2 | 120.9 | 119.8 | |
| 20 | NA | NA | 81.9 | NA | |||
| 21 | NA | 7.15 | 6.84a | 93.0 | 121.9 | 128.8a | |
| 24 | 8.59 – 8.47 | 8.55 | 8.53 | 146.7 | 145.1 | 145.8 | |
| 25 | 7.64–7.61 | 7.40 | 7.54 | 126.4 | 124.1 | 125.6 | |
| 26 | 7.76 | 7.72 | 7.88 | 124.1 | 123.4 | 125.2 | |
NA, not applicable.
↵a The site could not be assigned because HMBC and ROESY spectra were unavailable.