Table 1.
1H and 13C nuclear magnetic resonance spectral data for 25I-NBOH (500 MHz, CDCl3)
| Position | δ 1Ha | δ 13C | 2 J | 3 J |
|---|---|---|---|---|
| 1 | – | 128.5 | – | – |
| 2 | – | 152.2 | – | – |
| 3 | 7.22 (1H, s) | 121.7 | C-2, C-4 | C-1 |
| 4 | – | 82.9 | – | – |
| 5 | – | 152.5 | – | – |
| 6 | 6.65 (1H, s) | 113.6 | C-5, C-1 | C-4, C-7 |
| 7 | 2.83 (2H, t, J = 7.0 Hz) | 30.6 | C-8, C-1 | C-2, C-6 |
| 8 | 2.92 (2H, t, J = 7.0 Hz) | 48.0 | C-7 | C-10, C-1 |
| 10 | 3.98 (2H, s) | 52.2 | C-1′ | C-8, C-2′, C-6′ |
| 1′ | – | 122.0 | – | – |
| 2′ | – | 158.2 | – | – |
| 3′ | 6.84 (1H, dd, J = 8.13, 1.07 Hz) | 116.3 | C-2′ | C-1′, C-5′ |
| 4′ | 7.16 (1H, ddd, J = 8.13, 7.50, 1.70 Hz) | 128.7 | – | C-2′, C-6′ |
| 5′ | 6.77 (1H, ddd, J = 7.50, 7.50, 1.07 Hz) | 118.9 | C-6′ | C-1′, C-3′ |
| 6′ | 6.97 (1H, dd, J = 7.50, 1.70 Hz) | 128.2 | – | C-10, C-2′, C-4′ |
| OCH3-2 | 3.75 (s) | 56.0 | – | C-2 |
| OCH3-5 | 3.81 (s) | 57.0 | – | C-5 |
aThe multiplicity patterns are abbreviated as singlet (s), triplet (t), double doublet (dd) and double double doublet (ddd)