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. 2018 Jul 20;293(36):14089–14099. doi: 10.1074/jbc.RA118.003809

Table 1.

1H/13C NMR chemical shift assignments of compound 3 (δ, ppm; J, Hz)

The data (δ) were measured in HOD (D 99.9%). The assignments were based on HSQC, COSY, TOCSY, ROESY, and HMBC experiments.

Octasaccharide (3)
dF dU dA Fuc GlcA rA rF rU
H1 5.20 J (1,2) = 4.32 4.85 J (1,2) = 8.64 4.53 J (1,2) = 8.56 5.28 J (1,2) = 4.16 4.43 J (1,2) = 7.60 4.63 J (1,2) = 7.60 5.04 J (1,2) = 4.08 3.73 J (1,1′) = 11.76
3.69 (H-1′) J (1/1′,2) = 3.92, 6,72
C1 100.91 105.74 102.38 101.99 106.34 104.17 104.04 65.33
H2 3.88 J (2,3) = 10.40 3.83 J (2,3) = 8.32 4.08 J (2,3) = 9.52 3.87 J (2,3) = 10.48 3.55 J (2,3) = 8.36 3.98 3.89 J (2,3) = 10.56 4.07 J (2,3) = 3.92
C2 69.18 72.99 54.27 69.12 76.20 54.27 69.34 72.56
H3 4.53 J (3,4) = 2.96 4.42 J (3,4) = 2.72 4.10 J (3,4) = 2.52 4.46 J (3,4) = 2.88 3.63 J (3,4) = 8.72 3.97 J (3,4) = 0.80 4.55 J (3,4) = 3.36 4.02 J (3,4) = 3.92
C3 77.97 79.09 78.88 78.11 82.00 78.47 77.97 82.10
H4 4.83 5.68 4.91 4.96 3.95 J (4,5) = 9.32 4.75 4.83 4.01 J (4,5) = 4.08
C4 81.70 109.42 78.98 82.10 77.95 78.98 81.66 84.20
H5 4.27 J (5,6) = 6.72 4.01 J (5,6/6′) = 5.28, 8.56 4.88 J (5,6) = 6.48 3.64 4.01 J (5,6/6′) = 4.56, 8.72 4.36 J (5,6) = 6.56 4.25
C5 69.24 149.61 74.74 69.00 79.91 75.04 69.55 74.64
H6 1.23 4.32 J (6,6′) = 11.96 1.34 4.22 J (6,6′) = 10.96 1.24
4.22 (H-6′) 4.12 (H-6′)
C6 18.56 171.62 69.99 18.79 177.73 70.50 18.83 180.09
H7
C7 177.72 177.72
H8 1.99 2.00
C8 25.26 25.29