Table 2.
13C Chemical Shift and Assignments for [15N5,13C10]-FAPy in 2H2O
| 13C chemical shift (ppm)b | |||
|---|---|---|---|
| structure | carbona | α | β |
 |
2 | 154.99 br s | |
| 4 | 162.15 br d | ||
| (93) | |||
| 5 | 89.30 ddd | ||
| (78, 85, 18c) | |||
| 6 | 160.66 dd | 161.48 dd | |
| (74, 20c) | (74, 20c) | ||
| 8, cis | 165.89 d | 166.23 d | |
| (13.3c) | (13.5c) | ||
| 8, trans | 171.02 d | 171.11 d | |
| (13.9c) | (13.7c) | ||
| 1′ | 81.93 dd | 85.30 dd | |
| (39, 11c) | (44, 12c) | ||
| 2′ | 71.93 t | 73.92 dd | |
| (38) | (44, 34) | ||
| 3′ | 70.70 t | 71.37 t | |
| (38) | (38) | ||
| 4′ | 81.71 ddd | 83.20 ddd | |
| (35, 41, 8d) | (35, 41, 8d) | ||
| 5′ | 64.75 d | 64.92 dd | |
| (43) | (43, 5d) | ||
a
For clarity, the numbering scheme shown here reflects that of the pyrimidine product. The structure, as drawn, corresponds to the β, cis configuration of FAPy.
b
The values in parentheses are the coupling constants to 13C nuclei (in Hz) except as indicated by superscripts. Chemical shifts are referenced to internal CH3OH standard at 49.50 ppm.
c
The values correspond to the coupling constant to 15N.
d
The value represents the coupling constant to 31P.