Table 2.
1H and 13C NMR data for compounds R1, X1, C1 and A1 (500 MHz for 1H NMR and 125 MHz for 13C NMR, D2O, J in Hz, δ in ppm)
| Position | R1 | X1 | A1 | C1 | ||||
|---|---|---|---|---|---|---|---|---|
| δ H | δ C | δ H | δ C | δ H | δ C | δ H | δ C | |
| 1 | 158.3 | 158.1 | 158.0 | 158.1 | ||||
| 2 | 8.01 (1H, s) | 155.6 | 7.97 (1H, s) | 155.3 | 7.97 (1H, s) | 155.3 | 8.00 (1H, s) | 155.3 |
| 3 | 152.0 | 151.8 | 151.7 | 151.7 | ||||
| 4 | 121.4 | 121.3 | 121.3 | 121.3 | ||||
| 5 | 8.31 (1H, s) | 142.5 | 8.32 (1H, s) | 142.4 | 8.04 (1H, s) | 142.3 | 8.31 (1H, s) | 142.3 |
| 6 | 5.99 (1H, d, J 6.0) | 89.4 | 5.95 (1H, d, J 6.0) | 89.5 | 6.01 (1H, d, J 8.5) | 89.6 | 5.95 (1H, d, J 6.0) | 89.5 |
| 7 | 4.70 (1H, br m) | 77.1 | 4.73 (1H, br m) | 77.1 | 4.80 (1H, br m) | 77.1 | 4.70 (1H, br m) | 77.1 |
| 8 | 4.67 (1H, br m) | 76.5 | 4.67 (1H, br m) | 76.4 | 4.73 (1H, br m) | 76.3 | 4.70 (1H, br m) | 76.3 |
| 9 | 4.48 (1H, br m) | 86.6 | 4.47 (1H, br m) | 86.3 | 4.55 (1H, br m) | 86.4 | 4.47 (1H, br m) | 86.4 |
| 10 | 4.18 (2H, br m) | 68.5 | 4.20 (2H, br m) | 68.3 | 4.28 (2H, br m) | 68.4 | 4.20 (2H, br m) | 68.4 |
| 11 | 3.49 (1H, m); 3.77 (1H, m) | 74.9 | 3.50 (1H, m); 3.77 (1H, m) | 74.8 | 3.59 (1H, m); 3.83 (1H, m) | 74.7 | 3.77 (2H, m) | 74.8 |
| 12 | 41.2 | 41.2 | 41.2 | 41.2 | ||||
| 13 | 0.83 (3H, s) | 23.7 | 0.82 (3H, s) | 23.7 | 0.91 (3H, s) | 23.7 | 0.82 (3H, s) | 23.7 |
| 14 | 0.70 (3H, s) | 21.2 | 0.69 (3H, s) | 21.2 | 0.78 (3H, s) | 21.3 | 0.69 (3H, s) | 21.2 |
| 15 | 3.95 (1H, m) | 77.1 | 3.94 (1H, s) | 77.0 | 4.04 (1H, s) | 77.1 | 3.94 (1H, s) | 77.1 |
| 16 | 177.6 | 177.6 | 177.6 | 177.6 | ||||
| 17 | 3.39 (2H, m) | 38.3 | 3.38 (2H, m) | 38.3 | 3.48 (2H, m) | 38.4 | 3.39 (2H, m) | 38.3 |
| 18 | 2.39 (2H, m) | 38.2 | 2.37 (2H, m) | 38.2 | 2.47 (2H, m) | 38.2 | 2.38 (2H, m) | 38.2 |
| 19 | 176.9 | 176.8 | 176.8 | 176.9 | ||||
| 20 | 3.34 (2H, m) | 41.5 | 3.30 (2H, m) | 41.6 | 3.40 (2H, m) | 41.7 | 3.33 (2H, m) | 41.6 |
| 21 | 3.05 (2H, m) | 31.0 | 2.99 (2H, m) | 30.9 | 3.08 (2H, m) | 30.9 | 3.02 (2H, m) | 30.9 |
| 22 | 196.1 | 195.9 | 195.7 | 195.9 | ||||
| 23 | 6.66 (1H, d, J 16.0) | 127.0 | 6.38 (1H, d, J 15.5) | 121.3 | 6.38 (1H, d, J 16.0) | 124.3 | 6.38 (1H, d, J 16.0) | 124.5 |
| 24 | 7.33 (1H, d, J 16.0) | 144.5 | 7.20 (1H, d, J 15.5) | 144.5 | 7.18 (1H, d, J 16.0) | 144.7 | 144.6 | |
| 25 | 133.9 | 128.5 | 128.9 | 129.0 | ||||
| 26 | 7.43 (1H, dd, J 1.5, 8.0) | 131.3 | 7.22 (1H, dd, J 1.5, 9.0) | 118.7 | 6.83 (1H, br s) | 113.7 | 6.86 (1H, s) | 117.8 |
| 27 | 7.37 (1H, m) | 131.9 | 6.70 (1H, dd, J 1.5, 9.0) | 133.5 | 150.9 | 150.2 | ||
| 28 | 7.37 (1H, m) | 136.3 | 161.3 | 150.2 | 147.0 | |||
| 29 | 7.37 (1H, m) | 131.9 | 6.70 (1H, dd, J 1.5, 9.0) | 133.5 | 6.74 (1H, d, 8.5) | 118.3 | 6.72 (1H, d, 8.0) | 118.9 |
| 30 | 7.43 (1H, dd, J 1.5, 8.0) | 131.3 | 7.22 (1H, dd, J 1.5, 9.0) | 118.7 | 6.79 (1H, dd, J 1.5, 8.5) | 126.5 | 6.77 (1H, dd, J 1.5, 8.0) | 125.9 |
| −OCH3 | 3.78 (3H, s) | 58.5 | ||||||