| 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. |
