Table 1.
1 H-(400M Hz) and 13C-NMR (100 M Hz) data of 4'-NH2-EGCG (2) and EGCG (1) and HMBC correlations of 4'-NH2-EGCG (2).
| position | 2 | 1 | |||
|---|---|---|---|---|---|
| δH | δC | HMBC | δH | δC | |
| δ (ppm), J (Hz) | δ (ppm) | δ (ppm), J (Hz) | δ (ppm) | ||
| 2 | 4.87 (1H, s) | 77.0 | 3, 4, 8a, 1', 2', 6' | 4.88 (1H, s) | 76.9 |
| 3 | 5.24 (1H, s) | 68.7 | 2,4,4a,7" | 5.28 (1H, s) | 68.5 |
| 4 | 2.57 (1H, d, 16.5) | 26.1 | 2,3,4a,5, 8a | 2.57 (1H, d, 15.8) | 26.2 |
| 2.84 (1H, dd, 4.5, 16.7) | 2.85 (1H, d, 16.0) | ||||
| 4a | 97.8 | 97.8 | |||
| 5 | 157.0a | 157.0b | |||
| 6 | 5.85 (1H, s) | 96.0 | 5, 7, 8, 4a | 5.85 (1H, s) | 96.0 |
| 7 | 156.9a | 156.9b | |||
| 8 | 5.74 (1H, s) | 94.8 | 7, 8a, 4a, 6 | 5.75 (1H, s) | 94.8 |
| 8a | 156.1 | 156.1 | |||
| 1' | 127.7 | 129.1 | |||
| 2'/6' | 6.35 (2H, s) | 105.5 (2C) | 1', 2, 3', 5', 4' | 6.32 (2H, d, 2.3) | 105.9 |
| 3'/5' | 145.3 (2C) | 145.8 | |||
| 4' | 122.1 | 132.8 | |||
| 1" | 119.7 | 119.7 | |||
| 2"/6" | 6.76 (2H, s) | 109.1 (2C) | 1", 3", 5", 4", 7" | 6.73 (2H, d, 2.2) | 109.1 |
| 3"/5" | 145.8 (2C) | 146.1 | |||
| 4" | 138.9 | 138.9 | |||
| 7" | 165.8 | 165.7 | |||
a,b:
the chemical shifts are too close to arrange.
c.
Recorded in d6-DMSO