TABLE 3.
Proton and C-13 NMR parameters of enzyme substrate GlcNAc-PP-PhUa
| Position | δ H (ppm) (multiplet) | δ C-13 (ppm) |
|---|---|---|
| GlcNAc 1 | 5.53* (J = 2.7 Hz) | 96.0 |
| GlcNAc 2 | 3.97 | 55.0 |
| GlcNAc 3 | 3.75 | 72.9 |
| GlcNAc 4 | 3.33 | 71.9* |
| GlcNAc 5 | 3.96 | 74.6 |
| GlcNAc 6 | 3.66 | 60.9 |
| PO-CH2 | 3.97 | 67.0 |
| CH2 | 1.63 | 31.5 |
| CH2 | 1.38 | 26.5 |
| CH2 … n | 1.31 | 30.3 |
| CH2 | 1.46 | 26.9 |
| CH2 | 1.77 | 30.0 |
| CH2-OPh | 3.94 | 68.6 |
| Ph-O | 6.88 | |
| m | 7.23 | |
| p | 6.87 | |
| N-Acetyl | 2.05 | 22.7 |
a
Parameters were derived from 600-MHz proton NMR spectra, COSY, TOCSY (total correlation spectroscopy), NOESY (nuclear Overhauser effect spectroscopy), ROESY, and proton-carbon correlation HSQC. The reference was CD3OH proton adjusted to 3.30 ppm and carbon adjusted to 49.0 ppm. Ph, phenyl; *, shifts are uncertain.