Table 2. 13C NMR Data for 2ab (CDCl3, 101 MHz).
| BEAA (2a) |
allo-BEAA (2b) |
|||
|---|---|---|---|---|
| position | natural4 | synthetic | biosynthetic5 | synthetic |
| Hiv | 2 units | 2 units | 2 units | 2 units |
| 1 C=O | 169.94 or 169.24 | 169.96 or 169.94 or 169.91 or 169.48 or 169.44 | 169.78, 169.64 | 169.64 |
| 2 | 75.4 | 75.52, 75.48 | 75.64 | 75.63 |
| 3 | 29.7 | 29.71, 29.69 | 29.74, 29.70 | 29.75, 29.72 |
| 4 | 17.54 | 17.46, 17.43 | 17.43 | 17.48, 17.43 |
| 4′ | 18.29 | 18.28, 18.26 | 18.32 | 18.35, 18.34 |
| Hmp | 1 unit (2R,3S) | 1 unit (2R,3S) | 1 unit (2R,3R) | 1 unit (2R,3R) |
| 1 C=O | 169.94 or 169.24 | 169.96 or 169.94 or 169.91 or 169.48 or 169.44 | 169.61 | 169.92 |
| 2 | 74.22 | 74.30 | 74.27 | 74.25 |
| 3 | 35.81 | 35.84 | 35.62 | 35.62 |
| 4 | 24.47 | 24.40 | 24.53 | 24.55 |
| 5 | 11.31 | 11.30 | 10.63 | 10.63 |
| 3-Me | 14.34 | 14.35 | 13.27 | 13.27 |
| NMePhe | 3 units | 3 units | 3 units | 3 units |
| 1 C=O | 169.94 or 169.24 | 169.96 or 169.94 or 169.91 or 169.48 or 169.44 | 169.99, 169.94, 169.92 | 169.97, 169.92, 169.89 |
| 2 | 57.53, 57.52 | 57.30, 57.16 | 57.36, 56.64 | 57.35, 56.64 |
| 3 | 34.83, 34.68 | 34.79, 34.68, 34.62 | 34.84, 34.73, 34.62 | 34.87, 34.75, 34.64 |
| 4 | 136.64 | 136.60, 136.59, 136.56 | 136.64, 136.58, 136.48 | 136.66, 136.60, 136.49 |
| 5–9 | 128.92, 128.53, 126.76 | 128.86, 128.83, 128.82, 128.51, 128.45, 126.75 | 128.81, 126.77, 128.53 | 128.84, 128.82, 128.80, 128.53, 126.78 |
| N–CH3 | 32.43, 32.37 | 32.22, 32.19 | 32.33, 31.86 | 32.35, 31.87 |
