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Experimental and PCM calculated 3JHH coupling constants for 2a and 2b.
| 2a | 2b | Experimental | |
|---|---|---|---|
| H1-H2 | 9.97 | 9.97 | 10.0 |
| H6-H7 | 5.76 | 5.76 | 5.24 |
| 11.64 | 11.64 | 11.36 | |
| 2.13 | 2.13 | 2.54 | |
| 4.82 | 4.80 | 4.61 | |
| H7-H8 | 4.49 | 4.46 | 4.51 |
| 9.62 | 9.61 | 9.89 | |
| H8-H9 | 9.32 | 9.29 | 9.23 |
| H9-H11 | 4.09 | 4.19 | 4.41 |
| H11-H12 | 2.64 | 2.55 | 2.61 |
| 3.90 | 3.98 | 3.21 | |
| H8-H14 | 8.91 | 8.94 | 8.24 |
| H14-H15 | 10.49 | 10.31 | 10.45 |
| 7.50 | 7.49 | 7.36 | |
| H15-H16 | 4.54 | 4.40 | 4.42 |
| 11.20 | 11.42 | 11.45 | |
| 9.27 | 9.21 | 9.22 | |
| 2.02 | 2.16 | 1.91 | |
| H20-H21 | −0.82 | 3.19 | 3.22 |
| −1.84 | 8.90 | 8.67 |
