Table A1.
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.