Table 1. 13C and 1H NMR chemical shifts of the capsular polysaccharide (CPS) and a modified polysaccharide (MPS) from A. baumannii NIPH 329 (δ, ppm).
| Residue | C-1 | C-2 | C-3 | C-4 | C-5 | C-6 | C-7 | C-8 | C-9 |
|---|---|---|---|---|---|---|---|---|---|
| H-1 | H-2 | H-3 (3ax,3eq) | H-4 | H-5 | H-6 (6a,6b) | H-7 | H-8 | H-9 | |
| CPS | |||||||||
| →3)-β-d-GalpNAc-(1→ | 103.9 | 52.4 | 77.0 | 65.4 | 76.1 | 62.4 | |||
| A | 4.71 | 4.07 | 3.82 | 4.07 | 3.62 | 3.74, 3.79 | |||
| →6)-α-d-GlcpNAc-(1→ | 95.6 | 54.6 | 72.5 | 70.4 | 72.6 | 66.2 | |||
| B | 5.05 | 3.96 | 3.65 | 3.74 | 3.73 | 3.64, 4.16 | |||
| →3,6)-α-d-Galp-(1→ | 99.7 | 68.7 | 80.6 | 70.5 | 70.5 | 65.2 | |||
| C | 4.97 | 3.92 | 3.95 | 4.21 | 4.05 | 3.58, 3.95 | |||
| β-Psep4Ac5Ac7Ac-(2→ | 173.3 | 101.5 | 33.8 | 70.1 | 47.0 | 74.0 | 54.8 | 69.5 | 17.8 |
| D | 1.76, 2.50 | 4.90 | 4.30 | 4.00 | 4.07 | 4.13 | 1.19 | ||
| MPS | |||||||||
| →3)-β-d-GalpNAc-(1→ | 103.8 | 52.3 | 76.9 | 65.4 | 76.1 | 62.3 | |||
| A | 4.71 | 4.07 | 3.81 | 4.07 | 3.62 | 3.73, 3.79 | |||
| →6)-α-d-GlcpNAc-(1→ | 95.5 | 54.6 | 72.5 | 70.4 | 72.6 | 66.2 | |||
| B | 5.05 | 3.96 | 3.65 | 3.72 | 3.73 | 3.68, 4.09 | |||
| →3)-α-d-Galp-(1→ | 99.7 | 68.7 | 80.6 | 70.4 | 71.9 | 62.3 | |||
| C | 4.98 | 3.91 | 3.95 | 4.21 | 3.95 | 3.73, 3.73 | |||
1H NMR chemical shifts are italicized. Chemical shifts for the N-acetyl groups are δH 1.92–2.05; δC 23.0–24.0 (Me) and 174.5–175.9 (CO); for the O-acetyl group δH 2.00; δC 21.7 (Me) and 174.1 (CO).