Proton (1H) NMR chemical shift assignment (ppm) of JNJ-10148409 and its glucuronides (temperature 300 K)
Proton Numbera | JNJ-10148409b DMSO-d6 | Glu-A DMSO-d6 | Glu-B CD3OD | Glu-C | ||||
|---|---|---|---|---|---|---|---|---|
| DMSO-d6 | CD3OD | |||||||
| ppm | ppm | |||||||
| NH1 | 12.10 s | N.D. | N.D. | N.D. | N.D. | |||
| NH13 | 8.75 s | N.D. | N.D. | 8.47 s | N.D. | |||
| H15 | 7.38 d | 6.74 bs | 7.19 bs | 6.62 d | 6.67 d | |||
| H7 | 7.23 s | 7.11 s | 7.17 s | 7.15 s | 7.12 bs | |||
| H18 | 7.19 q | 7.24 q | 7.20 bs | 7.22 q | 7.24 q | |||
| H10 | 7.12 s | 7.19 s | 7.38 s | 7.25 s | 7.36 bs | |||
| H19 | 7.06 d | 6.74 bs | 7.02 d | 6.72 d | 6.78 d | |||
| H17 | 6.49 t | 6.74 bs | 6.50 t | 6.57 t | 6.58 t | |||
| C9-OCH3 | 3.82 s | 3.81 s | 3.96 s | 3.82 s | 3.91 s | |||
| C8-OCH3 | 3.79 s | 3.77 s | 3.89 s | 3.78 s | 3.86 s | |||
| H5 | 3.42 bs | 3.07 t | 3.45 bs | 3.28 t | 3.35 bs | |||
| H1′ | 5.01 d | 5.48 d | 5.11 d | 5.38 d | ||||
| H2′ | 4.86 bs | 4.11 t | 4.99 d | 4.33 t | ||||
| H3′ | 3.54 bs | 3.72 t | 3.98 t | 3.95 d | ||||
| H4′ | 3.00 bs | 3.77 t | 3.24 t | 3.61 bs | ||||
| H5′ |
| 3.39 bs | 4.01 d | 3.45 d | 3.67 bs | |||