Table 1.
position | δC | δNa | δH (mult,J in Hz) | HMBCb |
---|---|---|---|---|
1 | 245.8 | |||
2 | 167.5 | 8.45 (d, 5.0) | 1, 3, 3a, 3b, 8c | |
3 | 94.3 | 6.77 (d, 5.3) | 1, 2, 3a, 3b, 8b | |
3a | 147.4 | |||
3b | 117.6 | |||
4 | 126.1 | 8.06 (d, 8.0) | 3a, 6, 7a | |
5 | 130.2 | 7.58 (t, 7.5) | 3b, 7 | |
6 | 136.5 | 7.81 (t, 7.5) | 4, 7a | |
7 | 129.7 | 7.65 (d, 8.0) | 3b, 5, 8 | |
7a | 147.0 | |||
8 | 256.0 | |||
8a | 159.5 | |||
8b | 169.6 | |||
8c | 157.3 | |||
9 | n.o.c | |||
10 | 73.7 | |||
11 | 130.9 | |||
12/16 | 129.8 | 7.68 (d, 8.9) | 10, 12/16, 14 | |
13/15 | 115.2 | 6.91 (d, 8.8) | 11, 13/15, 14 | |
14 | 161.7 | |||
14-OMe | 55.8 | 3.76 (s) | 14 | |
17 | 126.1 | |||
18 | n.o.c | |||
19 | 148.0 | |||
20 | n.o.c | |||
21 | 127.5 | |||
22 | 120.0 | |||
23/27 | 131.9 | 6.85 (d, 8.8) | 21, 23/27, 25 | |
24/26 | 115.7 | 6.30 (d, 8.5) | 22, 24/26, 25 | |
25 | 159.3 | |||
28 | n.o.c |
15N assignments were based on 1H−15N HMBC correlations. The δN values were not calibrated to an external standard but were referenced to neat NH3 (δ 0.00) using the standard Bruker parameters.
1H−13C (optimized for 8.3 Hz) and 1H−15N (optimized for 8 Hz) HMBC correlations are listed.
Not observed