Table 1.
no. | pentapeptidolactone (α-ring) | no. | pentapeptidolactone (β-ring) | ||
---|---|---|---|---|---|
δ H, m (J in Hz) | δ C, type | δ H, m (J in Hz) | δ C, type | ||
Thr 1 | 169.2, C | Thr 1 | 169.4, C | ||
2 | 4.97, dd (9.0, 2.4) | 53.9, CH | 2 | 4.84, dd (8.4, 2.4) | 54.9, CH |
3 | 5.14, qd (6.0, 2.4) | 72.3, CH | 3 | 5.24, qd (6.0, 2.4) | 71.9, CH |
4 | 1.17, d (6.0) | 16.3, CH3 | 4 | 1.20, d (6.0) | 16.7, CH3 |
NH | 7.25, d (9.0) | NH | 9.66, d (8.4) | ||
Val 1 | 170.6, C | Val 1 | 170.7, C | ||
2 | 3.50, m | 57.4, CH | 2 | 3.49, m | 57.4, CH |
3 | 1.88, m | 30.1, CH | 3 | 1.88, m | 30.2, CH |
4 | 0.92, d (6.6) | 18.6, CH3 | 4 | 0.94, d (6.6) | 18.6, CH3 |
5 | 0.69, d (7.2) | 19.1, CH3 | 5 | 0.70, d (7.2) | 19.1, CH3 |
NH | 8.42, d (6.0) | NH | 8.29, d (5.4) | ||
Pro 1 | 173.0, C | Pro 1 | 173.0, C | ||
2 | 6.24, dd (9.0,3.0) | 54.8, CH | 2 | 6.21, dd (9.0,3.0) | 54.8, CH |
3 | 2.10, m; 1.74, m | 31.1, CH2 | 3 | 2.10, m; 1.74, m | 31.2, CH2 |
4 | 1.91, m; 1.67, m | 22.7, CH2 | 4 | 1.91, m; 1.67, m | 22.8, CH2 |
5 | 3.49, m; 3.27, m | 46.4, CH2 | 5 | 3.50, m; 3.27, m | 46.4, CH2 |
Sar 1 | 167.0, C | Sar 1 | 167.1, C | ||
2 | 4.80, d (18.0); 4.08, d (18.0) | 51.2, CH2 | 2 | 4.78, d (18.0); 4.08, d (18.0) | 51.2, CH2 |
NMe | 2.75, s | 34.4, CH3 | NMe | 2.75, s | 34.4, CH3 |
MeVal 1 | 168.1, C | MeVal 1 | 168.2, C | ||
2 | 3.23, d (9.6) | 69.5, CH | 2 | 3.23, d (9.6) | 69.6, CH |
3 | 2.54, m | 26.5, CH | 3 | 2.54, m | 26.5, CH |
4 | 0.97, d (6.6) | 21.0, CH3 | 4 | 0.98, d (6.6) | 21.1, CH3 |
5 | 0.79, d (6.6) | 18.8, CH3 | 5 | 0.80, d (6.6) | 18.8, CH3 |
NMe | 3.19, s | 38.6, CH3 | NMe | 3.19, s | 38.8, CH3 |
chromophore | |||||
2 | 165.8, C | 10a | 139.5, C | ||
3a | 132.9, C | 11 | 111.8, C | ||
4 | 100.2, C | 11a | 143.5, C | ||
4a | 132.0, C | 12 | 2.13, s | 14.8, CH3 | |
5 | 11.74, s | 13 | 2.27, s | 8.9, CH3 | |
5a | 131.3, C | 14 | 166.6, C | ||
6 | 113.4, C | 15 | 165.4, C | ||
7 | 7.11, d (8.4) | 122.0, CH | 16 | 3.17, m | 23.3, CH2 |
8 | 6.62, d (8.4) | 122.0, CH | 17 | 2.89, m | 30.3, CH2 |
9 | 127.5, C | 18 | 173.1, C | ||
9a | 140.7, C |