Table 1.
1H (750 MHz) and 13C (125 MHz) NMR Data for 1 in CD3OD.
| Atom Number | δH, Mult. (J in Hz) | δ C | n° | δH, Mult. (J in Hz) | δ C |
|---|---|---|---|---|---|
| 1 | 3.47, dd (11.0, 4.5) 3.42, m |
67.8 | 27 | 3.51, m | 77.7 |
| 2 | 4.10, m | 69.8 | 28 | 2.19, m 1.33, m |
39.8 |
| 3 | 2.00, m 1.71, dd (14.5, 10.0) |
39.7 | 29 | 3.12, m | 70.1 |
| 4 | - | 100.7 | 30 | 2.94, m | 78.1 |
| 5 | 4.21, d (3.0) | 73.0 | 31 | 1.89, m 1.54, t (11.5) |
34.9 |
| 6 | 4.70, dd (10.0, 3.0) | 77.8 | 32 | 3.76, dd (8.5, 3.5) | 72.5 |
| 7 | 3.37, m | 77.3 | 33 | - | 77.3 |
| 8 | 3.77, m | 67.9 | 34 | 2.34, d (12.5) 2.15, d (12.5) |
54.1 |
| 9 | 2.17, m 1.58, t (11.5) |
37.9 | 35 | - | 143.5 |
| 10 | 3.35, m | 79.6 | 36 | 2.54, d (14.5) 2.21, d (14.5) |
43.3 |
| 11 | 3.79, m | 82.4 | 37 | - | 79.9 |
| 12 | 5.64, dt (12.5, 2.0) | 132.8 | 38 | 4.06, dt (10.5, 3.0) | 73.1 |
| 13 | 5.75, dt (12.5, 2.0) | 133.0 | 39 | 2.61, m 2.59, m |
45.8 |
| 14 | 3.81, m | 83.0 | 40 | - | 211.6 |
| 15 | 3.44, dd (5.0, 2.0) | 79.9 | 41 | 2.59, m | 43.9 |
| 16 | 1.99, m 1.49, t (12.0) |
47.4 | 42 | 2.39, q (7.0) | 23.3 |
| 17 | - | 76.6 | 43 | 5.45, t (7.5) | 132.3 |
| 18 | 3.01, dt (11.0, 2.5) | 86.8 | 44 | - | 136.0 |
| 19 | 1.79, m 1.62, m |
25.4 | 45 | 6.33, dt (17.5, 10.5) | 142.6 |
| 20 | 1.95, m 1.80, m |
34.2 | 46 | 5.09, d (17.5) 4.90, d (11.0) |
111.2 |
| 21 | 3.53, m | 87.4 | 47 | 1.20, s | 16.4 |
| 22 | 3.54, m | 75.7 | 48 | 1.00, d (7.5) | 13.5 |
| 23 | 1.82, m 1.64, m |
32.8 | 49 | 1.19, s | 16.9 |
| 24 | 1.92, m 1.78, m |
29.5 | 50 | 4.98, br s 4.85 a |
118.6 |
| 25 | 2.19, m | 35.6 | 51 | 1.13, s | 20.7 |
| 26 | 3.11, m | 85.9 | 52 | 1.74, s | 11.7 |
a Overlapped with HOD. d: doublet, m: multiplet, t: triplet, s: singlet, br: broad.