Assignments Dex (δiso) Levo (δiso) Deviation (δiso)
aCalc. Exp. aCalc. Exp. Δcalc. Δexp.
C25 160.13 161.83 160.11 161.86 0.02 -0.03
C14 154.36 152.94 154.38 152.99 -0.02 -0.05
C20 151.70 150.6 151.75 150.61 -0.04 -0.01
C24 146.78 148.37 146.79 148.41 -0.01 -0.04
C6 144.74 143.85 144.78 143.86 -0.04 -0.01
C9 133.08 134.42 133.10 134.44 -0.02 -0.02
C36 127.54 124.28q 127.58 124.31q -0.04 -0.03
C22 125.91 123.76 125.96 123.76 -0.05 0
C8 123.18 123.25 123.15 123.3 0.03 -0.05
C7 121.64 121.91 121.64 121.92 0.01 -0.01
C4 119.84 120.36 119.86 120.34 -0.02 0.02
C5 110.26 112.22 110.28 112.18 -0.03 0.04
C21 104.07 106.02 104.11 106.04 -0.04 -0.02
C17 70.16 60.74 70.03 60.8 0.13 -0.06
C33 65.36 65.35q 65.37 65.38q -0.01 -0.03
C28 11.53 10.95 11.56 10.99 -0.03 -0.04
aThe theoretical chemical shifts were empirically scaled by using the following equation: δscaled = (δcalc−intercept)/slope.
Table 3: The experimental and calculated 13C-NMR of dex and levo.