Carbon (13C) NMR chemical shift assignment (ppm) of JNJ-10148409 and its glucuronides (temperature 300 K)
Carbon Numbera | JNJ-10148409 DMSO-d6 | Glu-A CD3OD | Glu-B CD3OD | Glu-C CD3OD | |||
|---|---|---|---|---|---|---|---|
| ppm | |||||||
| C3 | 143.5 | N.D. | 148.9 | 140.7 | |||
| C4 | 110.6 | 121.0 | 118.1 | 115.9 | |||
| C5 | 31.2 | 30.4 | 32.0 | 32.3 | |||
| C6 | 141.6 | 140.0 | 145.3 | 144.5 | |||
| C7 | 110.2 | 111.7 | 112.8 | 112.3 | |||
| C8 | 151.1 | 150.5 | 151.3 | 151.9 | |||
| C9 | 149.3 | 150.5 | 151.0 | 151.4 | |||
| C8-OCH3 | 56.6 | 57.1 | 58.9 | 58.6 | |||
| C9-OCH3 | 56.5 | 57.1 | 58.6 | 58.6 | |||
| C10 | 105.0 | 104.8 | 107.2 | 106.4 | |||
| C11 | 122.4 | 128.6 | 127.3 | 129.4 | |||
| C12 | 154.5 | 160.0 | 153.7 | 163.3 | |||
| C14b | 143.6 | 143.4 | 148.0 | 148.6 | |||
| C15b | 105.2 | 106.8 | 105.5 | 105.5 | |||
| C16b | 163.7 | 165.3 | 166.6 | 166.8 | |||
| C17b | 108.8 | 109.4 | 108.5 | 109.4 | |||
| C18b | 131.7 | 131.7 | 133.1 | 133.5 | |||
| C19 | 114.4 | 115.5 | 114.7 | 114.6 | |||
| C1′ | 89.7 | 90.8 | 88.0 | ||||
| C2′ | 72.6 | 75.3 | 74.3 | ||||
| C3′ | 78.2 | 79.6 | 80.1 | ||||
| C4′ | 79.7 | 80.9 | 80.7 | ||||
| C5′ | 73.7 | 75.2 | 75.0 | ||||
| C5′-CO2H |
| 176.7 | 178.0 | 173.0 | |||