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. 2019 May 10;36(1):1–10. doi: 10.1007/s12550-019-00360-0

Table 3.

Chemical shifts of the 13C-NMR signals of OTB-GSH and OTB-NAC in comparison with 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))

No. C OTB-GSH OTB-NAC OTA
δ 13C (ppm) δ 13C (ppm) δ 13C (ppm)
1 171.6 171.6 171.1
3 77.8 77.8 77.6
4 33.9 34.0 32.9
4a 149.4 149.0 143.5
5 123.2 124.1 124.2
6 144.8 144.3 138.6
7 120.5 120.5 120.9
8 161.4 161.2 159.7
8a 111.3 111.2 111.6
9 165.3 165.1 164.7
10 20.9 20.8 20.7
1′ 175.9 174.7 174.7
2′ 56.5 55.6 55.5
3′ 38.4 38.2 38.1
4′ 138.0 137.5 137.3
5′ and 9′ 130.5 130.4 130.4
6′ and 8′ 129.5 129.5 129.5
7′ 127.9 128.1 128.1
1″ 37.4 37.8
2″ 53.8 53.5
4″ 175.3 173.6
5″ 32.7 22.5
6″ 27.5 164.9
7″ 55.3
8″ 174.1
9″ 172.7
11″ 42.5
12″ 173.9