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. 2021 Oct 25;2021:7243052. doi: 10.1155/2021/7243052

Table 3.

1H (600 MHz) and13C (150 MHz) NMR data of compound 1.

Position 1 Aconitine
δ H (J in Hz) δ C HMBC NOESY 1H–1H COSY δ C
1 3.06 m 83.5 d C-10, C-17, 1-OCH3 H-3, H-5, H-10, 1-OCH3 H-2α, β 83.4 d
2α 2.32 m 34.2 t C-4, C-11 —— H-1, H-2β, H-3 34.1 t
2β 2.18 m   C-4, C-11 —— H-1, H-2α, H-3  
3 3.68 m 71.5 d C-1, C-18, C-19 H-1, H-5 H-2α, β 70.4 d
4 —— 43.5 s —— —— —— 43.2 s
5 2.03 d (6.6) 48.1 d C-3, C-7, C-10, C-17, C-18, C-19 H-1, H-3, H-18α, β H-6 46.6 d
6 3.92 d (6.6) 84.1 d C-4, C-8, C-17, 6-OCH3 H-8, 6-OCH3 H-5, H-7 82.3 d
7 2.73 m 42.5 d C-5, C-9, C-11, C-15 6-OCH3 H-6, H-8 44.8 d
8 2.75 m 48.5 d C-10, C-15, C-17 H-6, H-2′, 6′ H-7, H-9 92.0 s
9 2.78 m 38.6 d C-12, C-13, C-15 —— H-8, H-10, H-14 44.2 d
10 2.15 m 43.1 d C-5, C-8, C-17 H-1, H-14 H-9, H-12α, β 40.8 d
11 —— 50.9 s —— —— —— 49.8 s
12α 2.71 m 36.1 t C-9, C-11, C-13, C-14, C-16 —— H-10, H-12β 36.2 t
12β 2.26 m   C-9, C-11, C-13, C-16 H-14 H-10, H-12α  
13 —— 76.5 s —— —— —— 74.0 s
14 5.16 d (5.1) 79.6 d C-8, C-13, C-16, ArC=O H-10, H-12β H-9 78.9 d
15 —— 211.8 s —— —— —— 78.9 d
16 3.29 s 89.2 d C-8, C-12, C-14, C-15, 16-OCH3 H-17, 16-OCH3 —— 90.1 d
17 2.81 s 61.9 d C-5, C-6, C-8, C-10, C-19 H-16, H-21 —— 61.0 d
18α 3.68 d (9.18) 76.2 t C-3, C-5, C-19, 18-OCH3 H-5, H-19α, β, 18-OCH3 H-18β 77.1 t
18β 3.75 d (9.18)   C-3, C-5, C-19, 18-OCH3 H-5, H-19α, 18-OCH3 H-18α  
19α 2.37 d (10.98) 47.4 t C-3, C-18, C-21 H-18α, β H-19β 48.8 t
19β 2.89 d (10.98)   C-3, C-5, C-17 H-18α H-19α  
21α 2.41 m 49.1 t C-17, C-19 H-17 H-22 46.9 t
21β 2.44 m   C-17, C-19 H-17 H-22  
22 1.01 t (7.32) 13.3 q —— —— H-21α, β 13.3 q
8-C=O —— —— —— —— —— 172.2 s
CH3 —— —— —— —— —— 21.3 q
1-OCH3 3.23 s 56.1 q C-1 H-1 —— 55.6 q
6-OCH3 3.27 s 57.9 q C-6 H-6, H-7 —— 59.0 q
16-OCH3 3.61 s 61.7 q C-16 H-16, H-2′, 6′ —— 60.7 q
18-OCH3 3.28 s 59.2 q C-18 H-18α, ß —— 57.9 q
ArC=O —— 167.1 s —— —— —— 165.9 s
1′ —— 129.6 s —— —— —— 129.8 s
2′, 6′ 7.94 d (7.32) 129.8 d C-4′, ArC=O H-8, 16-OCH3 H-3′, 5′ 129.6 d
3′, 5′ 7.40 t (7.32) 128.4 d C-1′, ArC=O —— H-2′, 6′, H-4′ 128.6 d
4′ 7.53 t (7.32) 133.3 d C-2′, 6′ H-3′, 5′ H-3′, 5′ 133.2 d