Table 1.
The NMR spectroscopic data (δ) for CI - 39 in Me2CO-d6a.
| no. | δH | δC | no. | δH | δC |
|---|---|---|---|---|---|
| 1 | 1′ | 116.1 | |||
| 2 | 7.63 s | 124.3 | 2′ | 142.3 | |
| 3 | 105.1 | 3′ | 8.74 d (8.5) | 120.6 | |
| 3a | 124.8 | 4′ | 7.55 dd (9.0, 8.5) | 135.1 | |
| 4 | 7.59 d (8.0) | 119.8 | 5′ | 7.09 dd (9.0, 8.0) | 123.1 |
| 5 | 7.06 dd (8.0, 7.5) | 120.7 | 6′ | 7.91 dd (8.0) | 131.5 |
| 6 | 7.22 dd (7.5, 8.0) | 123.3 | 7′ | 168.7 | |
| 7 | 7.46 d (8.0) | 109.0 | NH | 10.92 s | |
| 7a | 133.4 | OCH3 | 3.72 s | 52.6 | |
| 8 | 3.87 s | 35.7 | NOCH3 | 4.19 s | 66.4 |
| 9 | 170.7 |
a
Chemical shift values (δ) were measured at 500 MHz for 1H and at 125 MHz for13C, respectively. Proton coupling constants (J) in Hz are given in parentheses. The assignments were based on DEPT, 1H–1H COSY, HSQC, and HMBC experiments.