No. | 1β-OH-DCA | [2H4]-1β-OH-DCA | DCA | |||
---|---|---|---|---|---|---|
13C ppm | 1H ppm (Multiplicity, J) | 13C ppm | 1H ppm (Multiplicity, J) | 13C ppm | 1H ppm (Multiplicity, J) | |
1 | 72.9 | 3.82 (br d;J ∼ 2.6, 2.6) | 72.8 | 3.81(s) | 35.2 | 0.98 (dt; J = 14.2, 14.2, 3.4), 1.78(m) |
2 | 36.4 | 1.66, 1.85 | n.d. | n.a. | 29.9 | 1.42, 1.60 |
3 | 65.8 | 3.99 (br m) | 65.6 | 3.96(s) | 71.3 | 3.52 (tt; J = 11.1, 11.1, 4.6, 4.6) |
4 | 35.3 | 1.47, 1.81 | n.d. | n.a. | 36.0 | 1.47, 1.79 |
5 | 35.7 | 1.81 | 35.5 | 1.81 | 42.4 | 1.39 |
6 | 26.5 | 1.29, 1.86 | 26.4 | 1.29, 1.85 | 27.2 | 1.28, 1.89 |
7 | 25.5 | 1.22, 1.43 | 25.5 | 1.20, 1.43 | 26.3 | 1.17, 1.44 |
8 | 36.1 | 1.52 | 36.1 | 1.51 | 36.2 | 1.47 |
9 | 34.7 | 1.88 | 34.7 | 1.87 | 33.6 | 1.9 |
10 | 38.2 | n.a. | 38.2 | n.a. | 34.1 | n.a. |
11 | 28.6 | 1.43, 1.56 | 28.6 | 1.43, 1.56 | 28.7 | 1.53, 1.53 |
12 | 72.5 | 3.94 | 72.5 | 3.94 | 72.8 | 3.96 (t, J = 2.8,2.8) |
13 | 45.9 | n.a. | 45.9 | n.a. | 46.4 | n.a. |
14 | 47.8 | 1.62 | 47.8 | 1.62 | 48.1 | 1.62 |
15 | 23.4 | 1.11, 1.62 | 23.4 | 1.10, 1.62 | 23.7 | 1.09, 1.62 |
16 | 27.1 | 1.30, 1.79 | 27.1 | 1.30, 1.79 | 27.4 | 1.28, 1.89 |
17 | 46.7 | 1.82 | 46.7 | 1.82 | 46.9 | 1.84 |
18 | 11.8 | 0.72 (s) | 11.8 | 0.72 (s) | 12.0 | 0.71 (s) |
19 | 17.3 | 1.03 (s) | 17.2 | 1.03 (s) | 22.5 | 0.93 (s) |
20 | 35.3 | 1.42 | 35.3 | 1.42 | 35.5 | 1.41 |
21 | 16.1 | 1,00 (d, J = 6.6Hz) | 16.1 | 1,00 (d, J = 6.6Hz) | 16.4 | 1.01 (d, J = 6.6 Hz) |
22 | 30.9 | 1.33, 1.79 | 31.0 | 1.33, 1.79 | 31.1 | 1.33, 1.78 |
23 | 30.7 | 2.20, 2.34 | 30.8 | 2.20, 2.34 | 30.8 | 2.21, 2.34 |
24 | 176.9 | n.a. | 177.0 | n.a. | 177.0 | n.a. |
br, broad; d, doublet; dt, doublet of triplet; m, multiplet; n.a., not applicable; n.d., not determined; s, singlet; t, triplet; tt, triplet of triplet.