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. 2020 Jan 21;9(2):116. doi: 10.3390/foods9020116

Table A1.

13C and 1H NMR data of 2,3-dehydrosilybin and 2,3-dehydrosilychristin.

2,3-Dehydrosilybin 2,3-Dehydrosilychristin
Atom Nº δ C m. δ H m. JHH (Hz) δ C m. δ H m. JHH (Hz)
2 145.49 s 146.67 s -
3 n.a. n.a. -
4 176.04 s 175.75 s -
4a 102.87 s 102.88 s -
5 160.55 s 160.62 s -
6 98.22 d 6.189 d 1.8 98.12 d 6.187 d 2.0
7 164.25 s 163.93 s -
8 93.46 d 6.450 d 1.8 93.26 d 6.406 d 2.0
8a 156.12 s 156.06 s -
10 78.40 d 4.268 ddd 2.5, 4.6, 7.9 87.40 d 5.544 d 6.6
11 75.75 d 4.964 d 7.9 52.88 d 3.553 m -
11a 129.73 s -
12 115.45 d 7.606 br s -
12a 143.25 s
13 116.01 d 7.786 br s - n.a. s -
14 123.80 s 115.70 d 7.630 d 1.7
15 121.01 d 7.758 br m - 140.82 s -
15a 148.60 s -
16 116.68 d 7.111 d 8.7 132.02 s -
16a 144.80 s
17 127.14 s 110.44 d 6.960 d 2.0
18 111.69 d 7.041 d 2.0 147.51 s -
19 147.56 s 146.46 s -
20 147.01 s 115.29 d 6.771 d 8.1
21 115.24 d 6.819 d 8.0 118.68 d 6.811 dd 2.0, 8.1
22 120.45 d 6.887 dd 2.0, 8.0 62.89 t 3.740 dd 5.5, 10.9
3.694 dd 6.7, 10.9
23 60.00 t 3.571 dd 2.5, 12.3
3.376 dd 4.6, 12.3
3-OH n.a. n.a.
5-OH n.a. - 12.462 br s -
7-OH n.a. n.a.
18-OMe 55.60 q 3.756 s -
19-OMe 55.63 q 3.790 s -
20-OH n.a. n.a.
22-OH - n.d.
23-OH n.d.
x-OH - 9.575 br s -
9.021 br s -

For Atom Nº, see Figure 1; m.: multiplicity; s: singlet, d: doublet, t: triplet, q: quartet, dd: doublet of doublets, ddd: doublet of doublets of doublets, br s: broad singlet, br m: broad multiplet; n.a.: not assigned, n.d.: not detected.