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. 2014 May 1;77(5):1224–1230. doi: 10.1021/np500155d

Table 1. NMR Data of Compound 1a and 1b in CD3CN-d3.

  1a
1b
no. δC δH (J in Hz) δC δH (J in Hz)
1 NDa   ND  
2 108.2 C   108.0 C  
3 161.1 C   ND  
4 120.7 C   121.1 C  
5 150.1 C   ND  
6 120.9 CH 7.42 brs ND 7.28 brs
7 139.2 C      
8 57.7 CH 4.37 s 57.5 CH 4.46 s
9 145.4 C   ND  
10 109.7 CH 6.00 brs 109.2 CH 6.35 brs
11 164.2 CH   ND  
12 102.7 CH 6.22 s 102.6 CH 6.15 s
13 165.2 C   165.3 C  
14 111.3 C   112.4 C  
15 192.0 C   ND  
16 116.4 C   115.1 C  
17 158.1 C   158.6 C  
18 125.1 C   125.2 C  
19 20.2 CH2 2.76 m; 2.33 m 20.4 CH2 2.83 m; 2.50 m
20 31.2 CH2 2.74 m 30.7 CH2 2.73 m
21 ND   ND  
22 120.4 CH 6.75 s 120.2 CH 6.74 s
23 140.1 C   ND  
24 ND 3.27 brs ND 3.23 brs
25 ND   ND  
26 28.5 CH3 1.76 s 28.2 CH3 1.75 s
17-OH   11.87 s   12.10 s
13-OH   11.94 s   11.80 brs
1-COOH   12.16 brs   12.3 brs
a

ND: not detected.