1H chemical shifts of CDP-840 and its glucuronide metabolite M12
| Position | CDP-840 | Glucuronide Metabolite M12 | ||||
|---|---|---|---|---|---|---|
| δ3-a | Multiplet | J | δ3-a | Multiplet | J | |
| ppm | Hz | ppm | Hz | |||
| 2 | 6.87 | s | 6.93 | s | ||
| 5 | 6.79 | s | 6.81 | s | ||
| 6 | 6.79 | s | 6.81 | s | ||
| 7 | 4.46 | t | 8.5 | 4.51 | t | 8.5 |
| 8 | 3.69 | dd | 14.0,8.5 | 3.77 | dd | 14.0,8.5 |
| 8′ | 3.64 | dd | 14.0,8.5 | 3.72 | dd | 14.0,8.5 |
| 10,13 | 7.86 | d | 6.6 | 8.01 | d | 6.8 |
| 11,12 | 8.71 | d | 6.6 | 8.94 | d | 6.8 |
| 15,19 | 7.35 | d | 7.8 | 7.36 | d | 7.2 |
| 16,18 | 7.25 | t | 7.8 | 7.27 | t | 7.2 |
| 17 | 7.14 | t | 7.8 | 7.15 | t | 7.2 |
| 20 | 4.73 | m | 4.75 | m | ||
| 21,22,23,24 | 1.85–1.50 | m | 1.87–1.49 | m | ||
| 25 | 3.64 | s | 3.66 | s | ||
| 26 | 5.51 | d | 8.6 | |||
| 27 | 3.37 | t | ||||
| 28 | 3.31 | t | ||||
| 29 | 3.47 | t | ||||
| 30 | 3.30 | d | ||||
↵3-a Chemical shifts are relative to dimethyl sulfoxide (2.49 ppm).