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. 2014 Jan 7;12(1):176–192. doi: 10.3390/md12010176

Table 1.

1H and 13C NMR data for okadaic acid in CD3OD (J in Hz).

C δC δH 3JH,H C δC δH 3JH,H
1 182.2 - - 23 78.1 3.28 9.8, 9.8
2 76.0 - - 24 71.8 3.92 9.8
3 46.1 1.79S 2.0, 12.0 25 146.7 - -
1.65R 11.0, 12.0
4 68.2 3.92 2.0, 2.5, 9.0, 11.0 26 86.2 3.80 8.8
5 33.1 (β) 1.72R 4.0, 9.0, 10.0, 13.0 27 65.8 3.94 2.0, 8.8, 10.0
(α) 1.30S 2.5, 2,5, 5.0, 13.0
6 28.2 (α) 1.82R 4.0, 4.8, 5.0, 13.0 28 36.3 1.28R 2.6, 10.0, 12.0
(β) 1.51S 2.5, 9.5, 10.0, 13.0 0.82S 2.0, 11.0, 12.0
7 73.2 3.22 4.8, 9.5 29 32.0 1.78 2.6, 6.4, 10.5, 11.0
8 97.1 - - 30 76.7 3.13 2.2, 10.5
9 123.5 5.13 - 31 28.5 1.69 2.2, 2.5, 6.5, 6.9
10 138.8 - - 32 27.5 (α) 1.88S 2.5, 2.5, 12.0, 12.0
(β) 1.25R 2.0, 6.5, 6.5, 12.0
11 33.4 (β) 1.90R 11.0, 16.0 33 30.6 1.22(2H) -
(α) 1.69S 4.0, 16.0
12 71.4 3.71 4.0, 8.0, 11.0 34 96.5 -
13 42.9 2.20 7.0, 8.0, 8.5 35 36.6 (β) 1.49R 2,5, 4.3, 13.0
(α) 1.26S 2.5, 13.0, 13.0
14 137.2 5.81 8.5, 15.4 36 19.4 (α) 1.79S 2.5, 2.5, 4.3, 4.3, 13.0
(β) 1.40R 2.5, 2.5, 13.0, 13.0, 13.0
15 131.9 5.34 7.9, 15.4 37 26.1 1.37(2H) -
16 80.2 4.52 7.5, 7.5, 7.9 38 60.9 (β) 3.57S 3.0, 11.5, 12.0
(α) 3.39R 2.5, 3.0, 12.0
17 31.0 (α) 2.04R 6.2, 7.5, 9.5, 12.0 39 10.6 0.79 6.9
(β) 1.43S 5.0, 5.5, 7.5, 12.0
18 37.7 (α) 1.88S 5.0,9.5, 12.5 40 16.8 0.91 6.4
(β) 1.72R 5.5, 6.2, 12.5
19 106.5 - - 41 112.6 5.25 -
4.91
20 33.4 1.75 (2H) - 42 16.9 0.98 7.0
21 27.5 (α) 1.75R 4.0, 13.0 43 22.9 1.59 -
(β) 1.65S 10.0, 13.0
22 71.1 3.50 4.0, 9.8, 10.0 44 27.5 1.16 -