Table 5.
13C NMR data (δ, ppm).
Pos. | T-2 Toxin-3-O-β-d-glucoside in Methanol-d4 (A) | HT-2 Toxin-3-O-β-d-glucoside in Acetone-d6 | T-2 Triol-3-O-β-d-glucoside in Acetone-d6 | T-2 Tetraol-3-O-β-d-glucoside in Methanol-d4 | 4,15-Diacetoxyscirpenol-3-O-β-d-glucoside in Methanol-d4 | Neosolaniol-3-O-β-d-glucoside in Methanol-d4 | Iso-neosolaniol-3-O-β-d-glucoside in Methanol-d4 | Fusarenon X-3-O-β-d-glucoside in Acetonitrile-d3 |
---|---|---|---|---|---|---|---|---|
2 | 80.6 | 78.8 | 79.9 | 80.4 (B) | 80.8 | 80.6 | 80.7 | 80.7 |
3 | 84.0 | 85.3 | 86.7 | 87.7 | 84.4 | 84.1 | 84.8 | 83.3 |
4 | 81.3 | 78.8 | 79.7 | 80.5 (B) | 81.8 | 81.3 | 81.8 | 80.9 |
4-Ac | 172.3 & 20.9 | - | - | - | 172.5 & 21.0 | 172.3 & 21.0 | 172.6 & 21.0 | 172.0 & 21.2 |
5 | 50.2 | 48.6 | 49.4 | 50.2 | 50.4 | 50.2 | 49.9 | 50.1 |
6 | 44.5 | 42.6 | 45.1 | 46.2 | 45.6 | 44.9 | 45.9 | 54.4 |
7 | 28.9 | 27.2 | 28.3 | 30.0 | 22.3 | 31.8 | 28.4 | 74.8 |
8 | 69.5 | 68.0 | 69.2 | 67.0 | 29.0 | 67.2 | 70.1 | 200.4 |
8-Ac | - | - | - | - | - | - | 172.6 & 21.3 | - |
9 | 137.5 | 134.8 | 135.6 | 141.5 | 141.9 | 141.6 | 137.6 | 136.7 |
10 | 125.2 | 124.8 | 126.3 | 122.6 | 119.8 | 121.9 | 125.4 | 138.9 |
11 | 68.6 | 67.0 | 68.2 | 70.2 | 69.5 | 69.1 | 69.2 | 70.5 |
12 | 65.4 | 64.2 | 65.5 | 65.7 | 65.4 | 65.6 | 65.7 | 65.4 |
13 | 48.0 | 45.9 | 46.9 | 47.5 | 47.9 | 48.1 | 48.1 | 47.0 |
14 | 7.2 | 6.6 | 7.4 | 7.4 | 7.2 | 7.2 | 7.2 | 8.0 |
15 | 65.9 | 64.2 | 63.5 | 63.2 | 64.8 | 66.2 | 63.7 | 61.4 |
15-Ac | 172.4 & 21.4 | 169.6 & 20.3 | - | - | 172.6 & 21.1 | 172.8 & 21.3 | - | - |
16 | 20.6 | 19.5 | 20.4 | 20.9 | 23.4 | 21.0 | 20.5 | 15.4 |
1′ | 174.1 | 171.7 | 172.7 | - | - | - | - | - |
2′ | 44.7 | 43.1 | 44.1 | - | - | - | - | - |
3′ | 27.1 | 25.5 | 26.4 | - | - | - | - | - |
4′ | 22.9 | 21.8 & 21.7 | 22.7 | - | - | - | - | - |
1″ | 103.9 | 102.4 | 103.5 | 104.4 | 104.3 | 103.9 | 104.3 | 103.3 |
2″ | 74.9 | 73.6 | 74.6 | 75.0 | 74.9 | 74.9 | 75.1 | 74.4 |
3″ | 78.2 | 77.1 | 78.1 | 78.3 (C) | 78.2 | 78.2 | 78.1 | 77.5 |
4″ | 71.6 | 70.7 | 71.7 | 71.4 | 71.5 | 71.5 | 71.5 | 71.4 |
5″ | 78.4 | 76.8 | 77.7 | 78.3 (C) | 78.4 | 78.4 | 78.4 | 77.5 |
6″ | 62.8 | 61.9 | 62.9 | 62.6 | 62.7 | 62.7 | 62.7 | 62.7 |
Ac, acetyl-group. (A)—Only 1H- and 13C-spectra were acquired and compared to the already published spectra acquired on an Agilent 600 MHz NMR-spectrometer [50]. (B)—Indicates that shifts for positions 2 and 4 may be reversed. (C)—Indicates that shifts for positions 3″ and 5″ may be reversed.