Table 3.
1H and 13C NMR (DMSO, 300.13 MHz and 75.47 MHz) and HMBC assignment for tryptoquivaline U (3).
| Position | δC, Type | δH, (J in Hz) | COSY | HMBC |
|---|---|---|---|---|
| 2 | 82.0, CH | 5.55, d (8.4) | NH-16 | C-13, 14 |
| 3 | 84.7, C | - | ||
| 4 | 132.0, C | - | ||
| 5 | 125.7, CH | 7.71, d (7.3) | H-6 | C-7, 9 |
| 6 | 125.7, CH | 7.38, ddd (7.5, 7.5, 1.2) | H-5, 7 | C-4, 8 |
| 7 | 131.6, CH | 7.57, ddd (8.1, 7.7, 1.2) | H-6, 8 | C-5, 9 |
| 8 | 116.2, CH | 7.49, d (7.2) | H-7 | C-4, 6 |
| 9 | 139.8, C | - | ||
| 11 | 170.7, CO | - | ||
| 12 | 56.9, CH | 5.58, dd (10.8, 9.1 | H-13 | C-3, 11, 13, 18, 26 |
| 13 | 31.6, CH2 | 2.86, dd (12.9, 9.1) | H-12 | C-2, 4, 11, 12 |
| 3.45, dd (12.9, 11.2) | H-12 | C-2, 3, 4, 12 | ||
| 14 | 176.0, CO | - | ||
| 15 | 64.6, C | - | ||
| 16 | - | 3.76, d (8.4) | H-2 | C-2, 3, 14, 15, 26, 27 |
| 18 | 159.6, CO | - | ||
| 19 | 121.4, C | - | ||
| 20 | 126.1, CH | 8.23, dd (8.0, 1.2) | H-21 | C-18, 22, 24 |
| 21 | 127.6, CH | 7.63, ddd (7.6, 7.6, 1.0) | H-20, 22 | C-19, 23 |
| 22 | 135.0, CH | 7.92, ddd (8.2, 8.2, 1.5) | H-21, 23 | C-20, 24 |
| 23 | 127.3, CH | 7.76, d (7.7) | H-22 | C-19, 21 |
| 24 | 147.5, C | - | ||
| 26 | 147.4, CH | 8.49, s | C-12, 18, 24 | |
| 27 | 26.5, CH3 | 1.45, s | C-14, 15, 28 | |
| 28 | 26.9, CH3 | 1.24, s | C-14, 15, 27 |