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. 2021 Mar 18;19(3):162. doi: 10.3390/md19030162

Table 1.

1H/13C NMR chemical shift assignments of Fr-2 (800 MHz, D2O).

Residue. Chemical Shift (ppm)
H/C 1 2 3 4 5 6 7 8
T →3)-β-d-anTal4S6S-diol H 4.983 3.949 4.523 4.952 4.433 4.263/4.119
C 91.58 85.93 79.13 79.79 80.38 70.6
U’ →4)-β-d-GlcA-(1→ H 4.484 3.623 3.673 3.893 3.673
C 103.64 76.38 79.79 78.13 79.32 177.34
A →3)-β-d-GalNAc4S6S-(1→ H 4.485 3.971 3.938 4.729 3.893 4.101/4.184
C 102.58 54.05 78.9 79.05 74.53 69.88 177.76 25.3
F’ (I’) α-l-Fuc2S4S-(1→ H 5.602 4.403 4.064 4.766 4.817 1.276
C 99.3 77.88 67.27 83.62 69.04 18.53
F’ (II’) α-l-Fuc3S4S-(1→ H 5.261 3.857 4.422 4.942 4.783 1.303
C 101.85 69.18 77.75 81.92 68.89 18.8
F’(III’) α-l-Fuc4S-(1→ H 5.315 3.708 3.949 4.69 4.745 1.267
C 102.04 71.33 71.46 83.94 68.98 18.47
U d-GlcA-(1→ H 4.416 3.512 3.551 3.618 3.671
C 106.4 76.63 84.19 72.6 79.32 177.76
F (I) α-l-Fuc2S4S-(1→ H 5.493 4.357 4.079 4.596 4.452 1.167
C 99.17 77.88 69.18 83.83 68.89 18.35
F (II) α-l-Fuc3S4S-(1→ H 5.273 3.856 4.437 4.933 4.769 1.167
C 101.55 69.1 78.06 82.13 69.1 18.5
F (III) α-l-Fuc4S-(1→ H 5.187 3.711 3.93 4.511 4.408 1.144
C 101.19 71.33 71.46 83.55 68.98 18.35