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. 2019 Sep 16;11(9):539. doi: 10.3390/toxins11090539

Table 1.

1H NMR (600 MHz) data for synthetic 12β-deoxyGTX2 (5) and 12β-deoxyGTX3 (3), and LWTX-1 (2) [19].

12β-deoxyGTX2 (5) 12β-deoxyGTX3 (3) LWTX-1 (2)
No. δH Multiplicity (J in Hz) δH Multiplicity (J in Hz) δH (J in Hz) ***
5 4.74 s 4.77 s 4.74 s
6 3.90 t 4.3 3.90 t 4.3 3.93 4.8
10α 4.17 d 12.3 4.15 dd 11.5, 11.9 4.16 8.1, 11.6
10β 3.96 dd 11.5, 4.4 3.72 dd 11.5, 4.3 3.67 5.4, 11.6
11 5.07 t 3.1 4.91 * n.d. ** 4.90 5.4, 7.2, 8.1
12 4.45 d 4.0 4.52 d 7.0 4.49 7.2
13a 3.96 m 4.27 dd 13.9, 5.6 4.29 4.8
13b 4.29 dd 11.5, 4.4 4.33 dd 13.9, 4.4 4.29 4.8

CD3COOD-D2O (4:96, v/v). The signal of CHD2COOD (2.06 ppm) was used as an internal reference. * estimated by TOCSY correlation, ** not determined, *** multiplicity is not shown in the reported data [19].