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. 2020 Feb 14;25(4):850. doi: 10.3390/molecules25040850

Table 2.

1D and 2D NMR spectroscopic data for dodovisate C (1), methyl dodovisate A (2), methyl iso-dodovisate A (3).

Position Dodovisate C (1) Methyl Dodovisate A (2) Methyl Iso-Dodovisate A (3)
δ 13C
(150 MHz)
δ 1H
(600 MHz)
HMBC
(H→C)
δ 13C
(500 MHz)
δ 1H
(125 MHz)
HMBC
(H→C)
δ 13C
(500 MHz)
δ 1H
(125 MHz)
HMBC
(H→C)
1 130.9 s 135.5 s 38.3 d 1.52 m a 2, 4, 6, 7, 10, 11
2 33.8 t 2.28 dd (12.3, 7.0)
2.07 dd (12.3, 6.8)
1, 3, 4, 7, 11 33.3 t 2.30 m
2.71 bd (11.5)
1, 3, 4, 7 135.0 d 6.31 d (3.7) 1, 4, 5w, 11
3 123.2 d 5.49 ddd (8.9, 7.0, 6.8) 1, 2, 5 123.7 s 126.8 s
4 124.7 d 5.98 dd (8.9, 5.1) 2, 6 132.0 d 7.10 d (5.6) 2, 3, 5, 6 125.9 d 7.06 d (11.1) 2, 6
5 128.0 d 6.40 dd (11.4, 5.1) 3, 4, 7 127.6 d 6.58 dd (11.6, 5.6) 1, 3, 4 131.5 d 6.75 dd (11.1, 5.7) 2 w, 4, 6, 7
6 131.1 d 6.64 d (11.4) 1, 4, 5, 7, 8 136.6 d 6.97 d (11.6) 3, 4, 5, 7, 8 119.5 d 6.13 d (5.7) 4
7 134.0 s 134.5 s 143.5 s
8 39.1 s 40.4 s 42.3 s
9 32.3 d 1.69 m 7, 8, 19 33.2 d 1.78 m 19 34.9 d 1.89 m a 19
10 26.2 t 1.40 m 1, 8, 9 26.9 t 1.45 m
1.55 m
1, 8, 9 26.3 t 1.54 m a
1.73 m (dquin like)
1 w, 8, 11
11 31.4 t 2.16 m
2.34 m
1, 7, 10 31.8 t 2.28 m
2.43 m
1, 7, 10 28.4 t 1.78 m2.02 m 1 w, 9, 10
12 166.9 s 167.6 s
13 37.5 t 1.69 m 7, 8, 9, 14, 15 38.3 t 1.80 m 8, 9, 14 37.0 t 1.83 m a, 1.89 ma
14 18.4 t 1.88 m
2.16 m
13, 15, 16, 18 19.5 t 1.97 m
2.23 m
13, 15, 16, 18 19.6 t 2.53 dbrt (3.8, 12.2)
2.43 dbrt (5.2, 12.2)
9 w, 13, 15, 16, 18
15 124.9 s 125.6 s 125.6 s
16 110.0 d 6.18 s 15, 17, 18 110.9 d 6.25 s 15, 17, 18 110.9 d 6.34 brs 15 w, 17, 18
17 141.5 d 7.20 s 15, 16, 18 142.6 d 7.34 s 15, 16, 18 142.8 d 7.34 brs 15, 16
18 137.3 d 7.10 s 15, 16, 17 138.4 d 7.18 s 15, 16, 17 138.4 d 7.25 brs 15, 16, 17
19 22.0 q 0.85 s 7, 8, 9, 13 23.3 q 0.88 s 8, 13 30.0 q 0.72 s 7, 8, 9, 13, 14 w
20 15.1 q 0.82 d (3.6) 8, 9, 10 15.9 q 0.83 d (6.8) 8, 9, 10 16.3 q 0.81 d (7) 8, 9, 10
21 51.9 q 3.78 s 12 51.8 q 3.75 s 12

a Overlapping signals; w weak signal.