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. 2019 Nov 23;24(23):4276. doi: 10.3390/molecules24234276

Table 1.

1H and 13C NMR spectral data of compounds 1, 2, and 3.

Atom 1 a, c 2 a,c 3 b,c
δC δH δC δH δC δH
41.0 1.07 ddd 12.5/12.5/6.0 46.7 1.34 dd 14.0/3.2 78.4 3.57 d 10.0
1.38 d 12.5 1.67 m
20.1 1.58 m 68.2 4.28 ddd 7.0/3.0/3.0 72.9 3.48 dd 10.0/10.0
1.56 m
43.5 1.35 ddd 12.5/12.5/5.5 48.5 1.66 m 78.7 3.04 d 10.0
1.79 d 12.5 2.01 d 14.0
4 72.3 71.6 38.1
5 55.0 1.19 d 12.5 54.4 1.29 dd 12.5/2.0 47.1 1.16 dd 5.0/12.0
21.4 1.86 d 12.5 21.2 1.87 d 12.5 22.4 2.20 dd 12.0/17.0
1.03 ddd 12.5/12.5/12.5 1.14 ddd 12.5/12.5/12.5 2.15 dd 5.0/5.0/17.0
7 48.3 1.41 dddd 12.5/12.5/3.0/3.0 48.5 1.42 dddd 12.5/12.5/3.0/3.0 119.5 5.49 d 5.0
21.8 1.59 d 12.5 21.2 1.56 d 12.5 142.1
1.33 dddd 12.5/12.5/12.5/3.0 1.37 dddd 12.5/12.5/12.5/3.5
44.6 1.45 ddd 12.5/3.0/3.0 44.9 1.49 ddd 12.5/3.0/3.0 144.0
1.15 ddd 12.5/12.5/3.0 1.12 m
10 34.6 34.0 43.2
11 74.5 74.6 119.1 6.31 d 6.0
12α 39.7 1.53 dd 8.2/8.2 39.5 1.52 dd 8.1/8.1 36.4 2.18 d 17.0
12β 2.06 d 6.0/17.0
13 22.3 2.06 m 22.3 2.04 m 42.0
14 124.6 5.14 dd 7.0/7.0 124.5 5.13 dd 6.7/6.7 49.9
15α 131.6 131.6 31.1 1.68 ddd 7.5/11.5/11.5
15β 1.46 dd 9.0/11.5
16α 17.6 1.63 s 17.8 1.62 s 25.8 2.07 ddd 9.0/14.0/17.0
16β 1.60 dd 9.0/14.0
17 25.7 1.69 s 25.8 1.68 s 53.0 1.78 dd 9.0/17.0
18 24.1 1.16 s 24.2 1.16 s 15.4 0.57 s
19 18.7 0.86 s 20.3 1.14 s 15.9 1.06 s
20 22.6 1.11 s 25.0 1.33 s 70.4 3.62 dd 6.2/9.0
21 22.4 1.21 d 6.2
22 15.9 0.90 s
23 27.6 1.02 s
24 24.9 0.91 s

a Data were measured at 500 MHz for 1H and 125 MHz for 13C in CDCl3, δ in ppm, J in Hz.; b Data were measured at 300 MHz for 1H and 75 MHz for 13C in CDCl3:CD3OD = 1:1, δ in ppm, J in Hz.; c Overlapping signals were assigned by HSQC, HMBC, COSY, and SELTOCSY experiments.