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. 2010 Oct 26;21(3):387–396. doi: 10.1093/glycob/cwq172

Table II.

13C NMR chemical shift assignments of LexβProN3 Galβ1–4(Fucα1–3)GlcNAcβProN3 and SLexβProN3 including Neu5Acα2–3Galβ1–4(Fucα1–3)GlcNAcβProN3, Kdnα2–3Galβ1–4(Fucα1–3)GlcNAcβProN3 and Neu5AcN3α2–3Galβ1–4(Fucα1–3)GlcNAcβProN3

Residue Carbon atom Chemical shift (ppm)
βDGlcNAc C LexβProN3 Neu5Acα2–3LexβProN3 Kdnα2–3LexβProN3 Neu5AcN3α2–3LexβProN3
1 101.09 101.15 101.09 101.17
2 55.94 55.99 55.91 55.98
3 75.05 75.07 75.02 75.08
4 75.47 75.43 75.35 75.40
5 73.49 73.52 73.43 73.47
6 59.88 59.83 59.73 59.79
C=O 174.40 174.41 174.17 174.43
CH3 22.36 22.40 22.31 22.38
βDGal(1–4) 1 101.96 101.79 101.72 101.75
2 71.16 69.43 69.34 69.43
3 72.58 75.82 75.70 75.79
4 68.47 68.48 69.26 68.35
5 75.10 74.99 74.93 74.99
6 61.63 61.65 61.60 61.67
αLFuc(1–3) 1 98.78 98.77 98.74 98.81
2 67.82 67.88 67.79 67.86
3 69.33 69.36 69.84 69.33
4 72.03 72.03 71.99 72.06
5 66.85 66.85 66.79 66.86
CH3 15.43 15.44 15.37 15.44
αDNeu5Ac(2–3) 1 174.05
2 99.84
3 39.95
4 67.48
5 51.87
6 73.08
7 68.29
8 72.07
9 62.78
C=O 175.20
CH3 22.21
αDKdn(2–3) 1 174.36
2 99.76
3 39.51
4 67.28
5 70.32
6 74.04
7 67.28
8 72.26
9 62.73
αDNeu5AcN3(2–3) 1 174.09
2 99.82
3 39.97
4 67.44
5 51.92
6 72.74
7 68.19
8 72.10
9 62.72
C=O 171.36
NHCOCH2N3 52.06
ProN3 OCH2CH2CH2N3 67.32 67.37 67.36 67.35
OCH2CH2CH2N3 28.24 28.28 28.21 28.28
OCH2CH2CH2N3 47.88 47.94 47.84 47.91