13C and 1H assignments2-a for flavopiridol and its metabolites M1 and M2
| Position | Flavopiridol | Metabolite M1 | Metabolite M2 | |||
|---|---|---|---|---|---|---|
| δC | δH | δC | δH | δC | δH | |
| 2 | 162.6 | N.D. | 163.2 | |||
| 3 | 110.6 | 6.58 | 110.5 | 6.41 | 110.3 | 6.66 |
| 4 | 181.9 | N.D. | 182.4 | |||
| 5 | 160.1 | N.D. | 159.7 | |||
| 6 | 99.6 | 6.43 | 112.1 | 6.18 | 99.10 | 6.69 |
| 7 | 163.4 | N.D. | 162.9 | |||
| 8 | 106.3 | N.D. | 105.4 | |||
| 9 | 156.4 | N.D. | N.D. | |||
| 10 | 104.2 | N.D. | 104.1 | |||
| 1′ | 131.2 | N.D. | 131.1 | |||
| 2′ | 162.6 | N.D. | 163.2 | |||
| 3′ | 131.6 | 7.84 | 131.2 | 7.71 | 131.7 | 7.86 |
| 4′ | 132.7 | 7.63 | 132.2 | 7.57 | 132.9 | 7.63 |
| 5′ | 128.1 | 7.59 | 127.9 | 7.54 | 128.0 | 7.57 |
| 6′ | 130.7 | 7.69 | 130.7 | 7.65 | 131.2 | 7.70 |
| 1"-N-Me | 43.4 | 2.72 | 44.9 | 2.37 | 46.2 | 2.15 |
| 2" | 59.6 | 3.30/3.25 | 62.0 | 2.96/2.42 | 62.7 | 2.81/2.09 |
| 3" | 66.1 | 4.07 | 68.8 | 3.94 | 68.7 | 3.75 |
| 4" | 36.2 | 3.45 | 37.1 | 3.30 | 38.2 | 3.34 |
| 5" | 22.0 | 2.98/1.80 | 23.7 | 2.84/1.25 | 24.6 | 2.93/1.50 |
| 6" | 54.7 | 3.36/3.05 | 55.9 | 3.03/2.34 | 56.7 | 2.82/1.90 |
| 1‴ | 105.8 | d 4.46 (7.0) | 101.1 | d 4.88 (6.7) | ||
| 2‴ | 73.7 | tr 3.24 | 73.6 | tr 3.30 | ||
| 3‴ | 76.0 | tr 3.20 | 76.3 | tr 3.29 | ||
| 4‴ | 72.2 | tr 3.16 | 72.2 | tr 3.15 | ||
| 5‴ | 74.3 | d 3.30 | 73.7 | d 3.49 | ||
| 6‴ | 173.8 | 172.2 | ||||
N.D., not determined; chemical shifts of the quaternary carbons could not be determined due to the small amount of metabolite M1.
↵2-a Chemical shifts in parts per million relative to tetramethylsilane signal in DMSO at 303 K. Coupling constants, in Hertz, are in parentheses.