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. 2018 Mar 6;34(3):159–172. doi: 10.1007/s12550-018-0310-9

Table 1.

600-MHz 1H NMR data for six mycotoxin glucosides in α and ß configuration recorded in d4-methanol at 26 °C (chemical shift, multiplicity, (J in Hz))

1H-NMR shifts
Analyte
Position T-2-3-O-α-Glcp HT-2-3-O-α-Glcp 15-OH-T-2-3-O-α-Glcp T-2-3-O-β-Glcp HT-2-3-O-β-Glcp T2 triol-3-O-β-Glcp
2 3.82 d 3.72 d 3.78 d 3.71 d 3.61 d 3.59 d
(4.75) (4.69) (4.78) (4.98) (4.84) (4.85)
3 4.33 dd 4.15 dd 4.27 dd 4.47 dd 4.27 dd 4.20 dd
(4.77, 3.14) (4.69, 3.13) (4.79, 3.05) (4.99, 3.08) (4.90, 3.19) (4.89, 3.27)
4 5.83 d 4.55 d 6.12 d 5.98 d 4.59 d 4.99 d
(3.16) (3.18) (3.04) (3.10) (3.22) (3.25)
7α 2.36 dd 2.37 dd 2.28 dd 2.38 dd 2.37 dd 2.30 dd
(15.16, 5.81) (15.09, 5.77) (15.20, 5.99) (15.21, 5.89) (15.17, 5.79) (15.24, 6.04)
7β 1.99 dd 2.01 dd 1.83 dd 1.94 dd 1.99 dd 1.76 dd
(15.19, 1.56) (15.17, 1.54) (15.21, 1.52) (15.16, 1.55) (15.23, 1.55) (15.30, 1.54)
8 5.33 d 5.32 d 5.28 d 5.33 d 5.31 d 5.27 d
(5.57) (5.55) (5.77) (5.74) (5.55) (5.77)
10 5.77 5.74 d 5.77 d 5.78 d 5.75 d 5.76 d
(5.90) (5.94) (6.01) (5.98) (5.87) (5.98)
11 4.44 d 4.31 d 4.48 d 4.39 d 4.22 d 4.33 d
(5.93) (5.94) (5.95) (6.00) (5.86) (5.99)
13α 3.04 d 2.97 d 3.02 d 3.04 d 2.97 d 2.95 d
(3.87) (4.00) (3.90) (3.90) (4.04) (3.98)
13β 2.87 d 2.8 d 2.85 d 2.87 d 2.80 d 2.78 d
(3.93) (3.99) (3.93) (3.90) (4.00) (3.98)
14 0.74 s 0.81 s 0.79 s 0.74 s 0.80 s 0.84 s
15α 4.36 d 4.29 d 3.96 d 4.38 d 4.30 d 3.86 d
(12.42) (12.41) (12.27) (12.64) (12.45) (12.18)
15β 4.11 d 4.01 d 3.59 d 4.09 d 3.99 d 3.54 d
(12.46) (12.41) (12.29) (12.44) (12.43) (12.18)
16 1.74 s 1.74 s 1.75 s 1.74 s 1.73 s 1.74 s
18 2.15 m 2.16 m 2.23 m 2.16 m 2.16 m 2.22 m
19 2.06 m 2.08 m 2.07 m 2.07 m 2.07 m 2.08 m
20 0.96 d 0.97 d 0.97 d 0.97 d 0.97 d 0.97 d
(6.58) (6.66) (6.69) (6.66) (6.63) (6.68)
21 0.95 d 0.96 d 0.96 d 0.96 d 0.96 d 0.97 d
(6.65) (6.55) (6.71) (6.61) (6.63) (6.66)
CH3 (Ac) 2.09, 2.06 s 2.05 s 2.1 s 2.09, 2.06 s 2.05 s
1’ 4.96 d 5.00 d 4.96 d 4.45 d 4.60 d 4.56 d
(3.75) (3.77) (3.76) (7.73) (7.76) (7.82)
2’ 3.43 dd 3.44 dd 3.41 dd 3.25 dd 3.26 dd 3.27 dd
(9.81, 3.80) (9.79, 3.80) (9.82, 3.80) (9.09, 7.78) (9.21, 8.08) (7.92, 8.99)
3’ 3.71 dd 3.72 dd 3.72 dd 3.35 dd 3.38 dd 3.41 dd
(9.89, 9.02) (9.67, 8.97) (9.80, 9.04) (8.97, 8.97) (8.99, 8.31) (9.00, 8.21)
4’ 3.36 dd 3.35 dd 3.35 dd 3.29 dd 3.34 dd 3.37 dd
(9.88, 9.04) (9.77, 8.97) (9.97, 8.97) (9.02, 8.42) (8.92, 8.92) (8.98, 8.71)
5’ 3.58 ddd 3.75 ddd 3.61 ddd 3.21 ddd 3.28 ddd 3.27 m
(10.05, 4.88, 2.39) (9.80, 5.53, 2.11) (10.01, 4.68, 2.31) (9.64, 5.80, 2.30) (9.27, 5.27, 2.25) overlapped
6’α 3.76 dd 3.85 dd 3.77 dd 3.83 dd 3.84 dd 3.83 dd
(11.95, 2.43) (11.56, 2.17) (12.03, 2.48) (12.07, 2.27) (12.05, 2.29) (12.08, 2.30)
6’β 3.69 dd 3.69 dd 3.69 dd 3.65 dd 3.68 dd 3.68 dd
(11.92, 4.88) (11.49, 5.54) (11.91, 4.80) (12.09, 5.76) (12.05, 5.30) (12.10, 5.19)