Table 2.
Chemical shift of the 1H-NMR signals of OTB-GSH and OTB-NAC in comparison to OTA (see Fig. 1 for structure and numbering) (NMR measurements were performed in d4-methanol/D2O/d2-formic acid (70/30/0.1, v/v/v), literature data of OTB-NAC by Tozlovanu et al. 2012 were obtained in d6-DMSO)
| No. H | OTB-GSH | OTB-NAC | OTB-NAC (Tozlovanu et al. 2012) |
OTA |
|---|---|---|---|---|
| δ 1H (ppm) | δ 1H (ppm) | δ 1H (ppm) | δ 1H (ppm) | |
| 3 | 4.79 | 4.80 | 4.39 | 4.85 |
| 4.1/4.2 | 2.98 ו 3.55 | 2.92 ו 3.52 | 2.55 ו 3.35 | 2.91 ו 3.35 |
| 6 | 8.35 | 8.40 | 8.06 | 8.18 |
| 10 | 1.56 | 1.55 | 1.34 | 1.56 |
| 2′ | 4.85 | 4.93 | 4.43 | 4.92 |
| 3'.1/3'.2 | 3.18 ו 3.31 | 3.20 ו 3.34 | 3.08 3.12 | 3.20 ו 3.32 |
| 5′–9′ | 7.31–7.18 | 7.31–7.22 | 7.23–7.19 | 7.32–7.23 |
| 1''.1/1''.2 | 3.03 ו 3.32 | 3.14 ו 3.38 | 2.81 ו 3.06 | − |
| 2″ | 4.27 | 4.39 | 3.91 | − |
| 5″ | 2.55 | 1.96 | 1.75 | − |
| 6″ | 2.23–2.08 | − | − | − |
| 7″ | 3.69 | − | − | − |
| 11″ | 3.81 | − | − | − |