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. 2019 Feb 4;10:52. doi: 10.3389/fphar.2019.00052

Table 1.

Proton and carbon NMR chemical shift assignments for BFT and its metabolite.

Position 5β-Hydroxy-Bufotalin
Bufotalin
δ1H Mult (J in Hz) δ13C δ1H Mult (J in Hz) Δ13C
1 1.16 23.6 1.19 29.6
1.94 1.91
2 1.38 24.8 1.28 27.9
1.83 1.59
3 4.20 68.1 4.14 66.7
4 1.56 36.9 1.24 33.3
2.11 1.76
5 73.5 1.59 35.9
6 1.47 35.1 1.46 26.4
1.72 1.79
7 1.28 21.5 1.32 21.1
1.47 1.43
8 1.50 39.1 1.49 42.3
9 1.57 41.4 1.56 35.3
10 1.83 40.7 1.84 35.6
11 1.61 28.7 1.54 21.1
1.36
12 1.25 40.5 1.39 40.9
1.59 1.50
13 49.3 49.4
14 84.4 84.4
15 2.85 57.1 1.53 40.4
2.65
16 5.52 74.4 5.54 73.6
17 2.59 40.8 2.87 57.2
18 0.79 16.4 0.79 16.4
19 0.95 16.7 0.95 23.7
20 116.7 116.9
21 7.25 151.1 7.25 151.0
22 8.00 149.0 8.03 149.2
23 6.19 113.2 6.19 113.1
24 161.9 161.9
25 170.0 170.0
26 1.87 20.9 1.87 20.9

All spectra were recorded on a Bruker ARX-600 spectrometer, in CDCl3.