3, 22-二羟基何伯烷的单晶结构及波谱学数据
姜垒,付阳,郭文文,郑果,王强

Nuclear Magnetic Resonance Assignment and Crystal Structure of 3, 22-Dihydroxyhopane
Lei JIANG,Yang FU,Wen-wen GUO,Guo ZHENG,Qiang WANG
表2 化合物2的1H和13C NMR实验数据(溶剂:Pyridine-d5)和文献数据(溶剂:CDCl3
Table 2 1H and 13C NMR experimental data (Solvent: Pyridine-d5) and documentary data (Solvent: CDCl3) of compounds 2
No. 实验 文献[3] CDCl3
δH (J/Hz) δC HMBC 1H-1H COSY NOESY δH (J/Hz) δC
1a 1.71 (1H, dt, 13.0/3.5) 39.6(仲) C-3, 5, 10 H-1b
1b 0.99 (1H, m) H-1a H-3
2 1.89 (2H, m) 28.8(仲) H-25
3 3.49 (1H, dt, 10.3/5.6) 78.5(叔) C-4, 23, 24 H-2, 3-OH H-5, 23, 1b
4 / 39.9(季)
5 0.82 (1H, dd, 11.4/1.9) 56.1(叔) C-4, 6, 7, 9, 10, 23, 24, 25 H-6 H-3, 23
6a 1.61 (1H, m) 19.3(仲)
6b 1.46 (1H, m)
7a 1.46 (1H, m) 34.1(仲)
7b 1.23 (1H, m)
8 / 42.4(季)
9 1.30 (1H, m) 51.1(叔)
10 / 37.8(季)
11a 1.54 (1H, m) 21.8(仲)
11b 1.30 (1H, m) H-25
12 1.47 (2H, m) 24.9(仲)
13 1.46 (1H, m) 50.6(叔)
14 / 42.6(季)
15a 1.43 (1H, m) 35.2(仲)
15b 1.29 (1H, m)
16a 2.24 (1H, ddt, 13.1/4.7/2.4) 22.8(仲) C-14, 18 H-15, 16b H-29, 30
16b 1.84 (1H, m) H-15, 16a
17 1.53 (1H, m) 55.1(叔)
18 / 44.8(季)
19a 1.62 (1H, m) 42.2(仲)
19b 1.03 (1H, m)
20a 1.85 (1H, m) 27.4(仲)
20b 1.78 (1H, m)
21 2.42 (1H, dt, 11.1/9.0) 52.0(叔) C-17, 18, 20, 22, 29, 30 H-17, 20 H-29, 30
22 / 72.9(季)
23 1.28 (3H, s) 29.2(伯) C-3, 4, 5, 24 H-3, 5 0.98
24 1.08 (3H, s) 16.8(伯) C-3, 4, 5, 23 0.77
25 0.90 (3H, s) 16.6(伯) C-1, 5, 9, 10 H-2, 11b 0.82
26 1.01 (3H, s) 17.3(伯) C-7, 8, 9, 14 0.96
27 1.02 (3H, s) 17.7(伯) C-8, 13, 14, 15 0.94
28 0.97 (3H, s) 17.0(伯) C-13, 17, 18, 19 0.77
29 1.40 (3H, s) 30.3(伯) C-21, 22, 30 H-16a, 21 1.20
30 1.45 (3H, s) 31.9(伯) C-21, 22, 29 H-16a, 21 1.20
3-OH 5.75 (1H, d, 5.3) / C-2, 3, 4 H-3
22-OH 4.94 (1H, s) / C-21, 22, 29, 30