Table 4.
Position | 2 | Aconitine | ||||
---|---|---|---|---|---|---|
δ H (J in Hz) | δ C | HMBC | NOESY | 1H–1H COSY | δ C | |
1 | 3.05 m | 83.6 d | C-10, C-17, 1-OCH3 | H-3, H-10, 1-OCH3 | H-2α, β | 83.4 d |
2α | 2.36 m | 34.1 t | C-4 | —— | H-1, H-2β, H-3 | 34.1 t |
2β | 2.17 m | C-4, C-11 | —— | H-1, H-2α, H-3 | ||
3 | 3.67 m | 71.8 d | C-18, C-19 | H-1, H-5 | H-2α, β | 70.4 d |
4 | —— | 43.7 s | —— | —— | —— | 43.2 s |
5 | 2.04 d (6.6) | 48.5 d | C-3, C-7, C-10, C-17, C-18, C-19 | H-3, H-18α, β | H-6 | 46.6 d |
6 | 3.89 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 | 2.78 m | 41.8 d | C-9, C-11, C-15 | 6-OCH3 | H-6, H-8 | 44.8 d |
8 | 2.65 m | 49.4 d | C-10, C-15, C-17 | H-6, H-16 | H-7, H-9 | 92.0 s |
9 | 2.80 m | 38.7 d | C-12, C-13, C-15 | —— | H-8, H-10, H-14 | 44.2 d |
10 | 2.22 m | 44.8 d | C-8, C-17 | H-1, H-14 | H-9, H-12α, β | 40.8 d |
11 | —— | 51.2 s | —— | —— | —— | 49.8 s |
12α | 3.02 m | 32.9 t | C-11, C-13, C-14, C-16 | —— | H-10, H-12β | 36.2 t |
12β | 1.83 m | C-11, C-13, C-16 | H-14 | H-10, H-12α | ||
13 | —— | 77.5 s | —— | —— | —— | 74.0 s |
14 | 5.41 d (5.16) | 78.5 d | C-8, C-13, C-16, ArC=O | H-10, H-12β | H-9 | 78.9 d |
15 | —— | 211.7 s | —— | —— | —— | 78.9 d |
16 | 3.85 s | 86.1 d | C-12, C-15, 16-OCH3 | H-8, H-2′, 6′ | —— | 90.1 d |
17 | 2.98 s | 61.6 d | C-1, C-6, C-10, C-19 | H-21 | —— | 61.0 d |
18α | 3.69 d (9.18) | 76.8 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 | 2.39 d (10.98) | 47.4 t | C-3, C-5, C-18, C-21 | H-18α, β | H-19β | 48.8 t |
19β | 2.90 d (10.98) | C-3, C-5, C-17 | H-18α | H-19α | ||
21α | 2.45 m | 49.0 t | C-17, C-19 | H-17 | H-22 | 46.9 t |
21β | 2.52 m | C-17, C-19 | H-17 | H-22 | ||
22 | 1.04 t (7.38) | 13.3 q | —— | —— | H-21α, β | 13.3 q |
8-C=O | —— | —— | —— | —— | —— | 172.2 s |
CH3 | —— | —— | —— | —— | —— | 21.3 q |
1-OCH3 | 3.24 s | 56.1 q | C-1 | H-1 | —— | 55.6 q |
6-OCH3 | 3.24 s | 57.8 q | C-6 | H-6, H-7 | —— | 59.0 q |
16-OCH3 | 3.80 s | 62.3 q | C-16 | —— | —— | 60.7 q |
18-OCH3 | 3.29 s | 59.2 q | C-18 | H-18α, β | —— | 57.9 q |
ArC=O | —— | 166.1 s | —— | —— | —— | 165.9 s |
1′ | —— | 129.4 s | —— | —— | —— | 129.8 s |
2′, 6′ | 7.97 d (7.32) | 129.7 d | C-4′, ArC=O | H-16 | H-3′, 5′ | 129.6 d |
3′, 5′ | 7.46 t (7.32) | 128.6 d | C-1′, ArC=O | —— | H-2′, 6′, H-4′ | 128.6 d |
4′ | 7.60 t (7.32) | 133.6 d | C-2′, 6′ | H-3′, 5′ | H-3′, 5′ | 133.2 d |