TABLE 2.
Proton and carbon chemical shifts (ppm) of Ch HF-PS
Values in parentheses correspond to direct coupling constant (1JH,C) between 1H and 13C of anomer position. Bold values correspond to carbon bearing substitution.
| Chemical shifts | ||||||||
|---|---|---|---|---|---|---|---|---|
| ppm | ||||||||
| Residues | 1 | 2 | 3 | 4 | 5 | 6/6′ | NAc | |
| α-FucpdiNAc (I) | 1H | 4.915 | 4.104 | 4.102 | 4.323 | 4.295 | 1.132 | 2.077 |
| 13C | 98.36 (∼172 Hz) | 51.49 | 68.29 | 54.80 | 66.90 | 17.05 | 23.52 | |
| α-Galp (II) | 1H | 4.987 | 3.813 | 3.948 | 3.918 | 4.131 | 3.903/3.633 | |
| 13C | 100.81 (∼170Hz) | 69.93 | 70.72 | 70.02 | 70.46 | 68.19 | ||
| β-GlcpNAc (III) | 1H | 4.599 | 3.697 | 3.583 | 3.595 | 3.632 | 3.942/3.746 | 2.045 |
| 13C | 102.52 (∼162Hz) | 56.91 | 73.39 | 70.92 | 75.63 | 66.61 | 23.38 | |
| 2-OH glutarate (OH-Glu) | 1H | 3.959 | 2.523 | 2.066 | ||||
| 13C | 180.00 | 80.72 | 32.67 | 30.05 | 178.70 | |||
| α-FucpdiNAc (Ia) | 1H | 4.91 | 4.09 | 4.09 | 4.29 | 4.28 | 1.13 | 2.12 |
| 13C | 98.4 | 51.5 | 68.2 | 54.7 | 66.8 | 16.8 | 23.2 | |
| α-GlcpNAc (IIIa) | 1H | 5.25 | 3.89 | 3.76 | 3.61 | 3.97 | 3.96/3.66 | 2.05 |
| 13C | 92.2 | 55.4 | 72.3 | 71.5 | 71.7 | 67.2 | 23.3 | |
| β-GlcpNAc (IIIa) | 1H | 4.73 | 3.66 | 3.58 | 3.56 | 3.57 | 3.96/3.66 | 2.05 |
| 13C | 96.4 | 58 | 71.2 | 71.2 | 75.6 | 67.2 | 23.3 | |
a Corresponds to the proton and carbon chemical shifts (ppm) of the disaccharide obtained by 4 m TFA hydrolysis of Ch HF-PS (supplemental Fig. S5).