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. Author manuscript; available in PMC: 2014 Jun 17.
Published in final edited form as: Chem Res Toxicol. 2013 May 15;26(6):976–985. doi: 10.1021/tx4001286

Table 1.

δH (600 MHz) and δC (150 MHz) NMR spectra data of M2 isomers (M2-1 and M2-2) (CD3OD, δ in ppm and J in Hz).

M2-1 M2-2

δH multi (J) δ C δH multi (J) δ C
1 2.77 m 30.3 2.77 m 30.3
2 2.74 m 45.7 2.74 m 45.9
3 211.7 211.8
4 2.71 m 49.6 2.71 m 49.6
2.63 m 2.63 m
5 3.12 m 42.3 3.09 m 41.3
6 1.53 m 36.3 1.53 m 36.8
7 1.39 m 27.5 1.39 m 27.4
8 1.28 m 32.6 1.28 m 32.6
9 1.33 m 23.6 1.33 m 23.6
10 0.891 (7.1) 14.4 0.89 t (7.0) 144.4
1′ 133.9 133.8
2′ 6.77 s 113.2 6.76 s 113.2
3′ 148.9 148.9
4′ 145.8 145.8
5′ 6.67 d (8.0) 116.2 6.68 d (8.0) 116.2
6′ 6.61 d (8.0) 121.8 6.62 d (8.0) 121.7
1″ a: 3.18 dd (14.5, 3.7) 32.8 a: 3.17 dd (14.5, 3.7) 32.8
b: 2.84 dd (14.5, 9.3) b: 2.85 dd (14.5, 9.3)
2″ 3.63 m 56.3 3.62 m 56.3
3″ 172.6 172.6
OMe 3.82 s 56.4 3.82 s 56.4