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. 2017 Sep 10;22(9):1514. doi: 10.3390/molecules22091514

Table 1.

1H- (800 MHz) and 13C- (200 MHz) NMR data for compounds 1, 2, and 3 (in CDCl3) at 25 °C.

Position 1 2 3
δC (ppm) δH, m (J in Hz) HMBC (H→C) δC δH, m (J in Hz) HMBC (H→C) δC δH, m (J in Hz) HMBC (H→C)
2 164.2 164.6 164.2
3 105.5 6.57 s C-2, C-4, C-4a, C-1′ 106.2 6.74 s C-2, C-4, C-4a, C-1′ 105.5 6.71 s C-2, C-4, C-4a, C-1′
4 182.9 182.6 183.0
4a 105.2 105.4 105.3
5 161.3 164.2 161.4
5-OH 13.08 s C-4a, C-5, C-6 13.41 s C-4a, C-5, C-6 13.11 s C-4a, C-5, C-6
6 95.3 6.40 s C-4a, C-5, C-7, C-8 95.6 6.40 s C-4a, C-5, C-7, C-8 95.4 6.45 s C-4a, C-5, C-7, C-8
7 163.1 165.0 163.2
8 105.3 103.4 106.0
8a 154.1 156.0 154.2
1′ 131.5 131.5 131.5
2′,6′ 126.5 7.91 m C-2, C-4′, C-2′, C-6′ 126.5 7.92 m C-2, C-4′, C-2′, C-6′ 126.4 7.93 m C-2, C-4′, C-2′, C-6′
3′,5′ 129.1 7.52 m C-1′, C-3′, C-5′ 129.4 7.59 m C-1′, C-3′, C-5′ 129.2 7.54 m C-1′, C-3′, C-5′
4′ 131.9 7.55 m C-2′, C-6′ 132.2 7.59 m C-2′, C-6′ 132.0 7.56 m C-2′, C-6′
1″ 114.9 6.85, d (16.5) C-7, C-8a, C-2″, C-3″ 132.0 8.06, d (16.4) C-7, C-8a, C-2″, C-3″ 117.5 6.83, d (16.5) C-7, C-8a, C-2″, C-3″
2″ 141.3 6.70, d (16.5) C-8, C-3″, 3″-Me2 128.8 7.18, d (16.4) C-8, C-3″, C-4″ 135.4 6.29, d (16.5) C-8, C-3″, C-4″, C-5″
3″ 71.5 199.1 142.9
3″-Me2 30.0 1.50 s C-2″, C-3″, 3″-Me2
4″ 27.8 2.41 s C-2″, C-3″ 116.8 5.10 s C-2″, C-3″, C-5″
5″ 18.2 2.06 s C-2″, C-3″, C-4″
7(OMe) 56.1 3.92 s C-7 56.4 4.01 s C-7 56.2 3.97 s C-7