Table 2.
NMR spectroscopic data of merocyclophane B (2) in DMSO-d6 (600 MHz)
| No. | Merocyclophane B (2) | ||
|---|---|---|---|
| δCa | δH | mult. (J in Hz) | |
| 1 | 28.7 | 2.86 | m |
| 2 | 37.6 | 1.22 | m |
| 1.44 | m | ||
| 3 | 29.0 | 0.62 | m |
| 0.94 | m | ||
| 4 | 30.3 | 0.84 | m |
| 1.24 | m | ||
| 5 | 28.9 | 0.66 | m |
| 0.94 | m | ||
| 6 | 33.0 | 1.27 | m |
| 1.89 | m | ||
| 7 | 34.3 | 3.06 | m |
| 8 | 113.8 | ||
| 9 | 155.4 | ||
| 10 | 102.5 | 5.97 | s |
| 11 | 144.3 | ||
| 12 | 107.3 | 5.95 | s |
| 13 | 156.7 | ||
| 14 | 39.6 | 2.26 | |
| 15 | 38.6 | 1.21 | m |
| 1.40 | m | ||
| 16 | 29.0 | 0.62 | m |
| 0.94 | m | ||
| 17 | 30.3 | 0.84 | m |
| 1.24 | m | ||
| 18 | 28.9 | 0.69 | m |
| 0.95 | m | ||
| 19 | 33.1 | 1.32 | m |
| 1.63 | m | ||
| 20 | 35.5 | 2.80 | br m |
| 21 | ndb | ||
| 22 | ndb | ||
| 23 | 132.6 | 6.30 | br s |
| 24 | 149.1 | ||
| 25 | ndb | ||
| 26 | ndb | ||
| 27 | 32.8 | 1.45 | m |
| 1.80 | m | ||
| 28 | 29.7 | 1.05 | m |
| 1.12 | m | ||
| 29 | 21.9 | 1.19 | m |
| 30 | 13.8 | 0.79 | t (7.3) |
| 31 | 32.9 | 1.40 | m |
| 1.70 | m | ||
| 32 | 29.7 | 1.05 | m |
| 1.12 | m | ||
| 33 | 21.9 | 1.19 | m |
| 34 | 13.8 | 0.79 | t (7.3) |
| 35 | 20.0 | 1.01 | br d |
| 36 | 22.4 | 1.08 | d (6.9) |
| 9-OH | 8.53 | br s | |
| 13-OH | 8.54 | br s | |
| 26-OH | 10.24 | br s | |
a
assigned from the HSQC and HMBC spectra,
ndb no signals observed at 25°C presumably due to signal broadening