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. Author manuscript; available in PMC: 2013 Jun 15.
Published in final edited form as: Bioorg Med Chem. 2012 Apr 28;20(12):3742–3745. doi: 10.1016/j.bmc.2012.04.046

Table 1.

NMR spectral data for okadaic acid,11 and metabolites (1) and (2) in methanol-d4

Unit Okadaic acid
Metabolite 1
Metabolite 2
δH δC δH δC δH δC
1 182.8 181.07 181.88
2 76.3 76.04 76.66
3a/b 1.65/1.91 46.7 1.63/2.06 46.19 1.63/1.97 46.22
4 4.08 68.9 4.09 69.20 4.11 69.03
5 1.3/1.89 33.4 1.29/1.80 33.92 1.32/1.80 33.15
6 1.66/1.94 28.3 1.65/1.97 27.81 1.67/1.97 27.91
7 3.35 73.4 3.37 73.23 3.41 73.09
8 107.1 96.62 96.83
9 5.26 123.8 5.28 123.49 5.52 122.90
10 139.3 138.81 137.41
11 1.82/1.98 34 1.85/1.97 33.98 1.97 29.41
12 3.87 71.8 3.80 71.81 3.81 71.79
13 2.35 43.2 2.37 43.29 2.36 43.16
14 5.95 137.2 5.91 137.68 5.93 137.52
15 5.5 132 5.50 132.12 5.51 132.00
16 4.66 80.6 4.65 79.58 4.66 80.46
17 1.6/.2.21 31.5 1.59/2.19 31.42 2.19/1.60 31.36
18 1.85/2 38.1 1.86/2.21 37.10 2.20 37.35
19 97.5 106.14 106.87
20 1.84/1.87 34.2 1.85/2.00 38.01 1.85/2.01 37.98
21 1.8/1.9 27.7 1.78/1.89 27.36 1.78/1.90 27.47
22 3.63 71.4 3.64 71.38 3.64 71.22
23 3.42 78.3 3.41 78.11 3.41 77.94
24 4.07 72.1 4.07 72.01 4.07 71.96
25 147.1 146.28 146.87
26 3.94 86.4 3.95 85.40 3.95 86.19
27 4.08 66.3 4.08 66.11 4.10 65.99
28 0.96/1.37 36.8 0.93/1.36 36.55 0.95/1.37 36.56
29 1.89 32.3 1.86 32.16 1.88 32.15
30 3.27 76.8 3.23 76.86 3.26 76.65
31 1.81 28.8 1.82 28.64 1.82 28.60
32 1.38/2 27.5 1.42/2.01 27.33 1.39/1.99 27.32
33 1.361.66 31.2 1.39 30.95 1.29 30.56
34 97 97.88 97.29
35a/b 1.43/1.61 37 1.25/1.97 46.18 1.43/1.62 36.85
36 1.53/1.88 19.8 4.02 64.91 1.55/1.89 19.59
37a/b 1.49/1.55 26.5 1.43/1.84 35.99 1.52 26.33
38 3.51/3.71 61.3 3.64 59.70 3.52/3.71 61.20
39 0.93 11.1 0.94 10.98 0.93 10.89
40 1.05 16.6 0.99 16.45 1.06 16.47
41 5.04/5.38 112.6 5.06/5.37 112.60 5.06/5.38 112.47
42 1.11 17.1 1.08 16.80 1.10 16.83
43 1.72 23.1 1.74 23.04 3.99 65.65
44 1.31 27.9 1.32 27.94 1.32 27.65