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. 2022 Mar 13;11(6):767. doi: 10.3390/plants11060767

Table 1.

1H (850 MHz) and 13C NMR (212.5 MHz) data of compounds 1 and 1a in CD3OD (δ in ppm) a.

Position 1 1a
δH (J in Hz) δ C δH (J in Hz) δ C
1 3.86 dd (1.5, 1.5) 72.2 d 3.82 dd (1.0, 1.0) 72.0 d
2α 2.55 ddd (13.0, 5.5, 1.5) 37.7 t 2.01 ddd (13.0, 5.5, 1.0) 37.6 t
2β 2.40 ddd (13.0, 12.5, 1.5) 1.73 ddd (13.0, 12.5, 1.0)
3 4.09 dddd (12.5, 12.5, 5.5, 5.5) 73.8 d 3.91 dddd (12.5, 12.5, 5.5, 5.5) 65.1 d
4α 2.23 dd (13.0, 5.5) 36.1 t 2.36 dd (13.0, 5.5) 40.9 t
4β 1.85 dd (13.0, 12.5) 2.32 dd (13.0, 12.5)
5 142.7 s 142.9 s
6 5.77 d (4.0) 126.2 d 5.72 d (4.0) 126.0 d
7 3.75 t (4.0) 64.4 d 3.72 t (4.0) 64.5 d
8 1.44 m 37.0 d 1.46 m 37.0 d
9 1.92 m 33.4 d 1.92 m 33.8 d
10 41.8 s 41.6 s
11α 1.57 m 19.5 t 1.51 m 19.3 t
11β 1.52 m 1.56 m
12α 1.37 m 39.2 t 2.00 m 39.3 t
12β 2.01 m 1.36 m
13 42.3 s 42.1 s
14 1.57 m 49.6 d 1.57 m 49.8 d
15α 1.86 m 23.1 t 1.19 m 22.3 t
15β 1.22 m 1.84 m
16α 1.70 m 21.5 t 1.69 m 21.3 t
16β 1.91 m 1.91 m
17 1.82 m 54.3 d 1.82 m 54.1 d
18 0.89 s 12.6 q 0.89 s 12.6 q
19 1.02 s 17.5 q 1.02 s 17.3 q
20 74.9 s 75.0 s
21 1.29 s 19.5 q 1.28 s 19.3 q
22 4.27 dd (13.5, 3.5) 81.2 d 4.25 dd (13.5, 3.5) 81.0 d
23α 2.32 m 30.8 t 2.32 m 30.8 t
23β 2.56 m 2.54 t (15.0)
24 151.5 s 151.2 s
25 120.6 s 120.6 s
26 167.8 s 167.6 s
27 1.87 s 11.1 q 1.87 s 10.8 q
28 2.01 s 19.2 q 2.00 s 19.1 q
1′ 4.40 d (8.0) 101.8 d
2′ 3.18 dd (9.0, 8.0) 73.8 d
3′ 3.38 overlap 76.4 d
4′ 3.28 overlap 70.3 d
5′ 3.49 overlap 75.6 d
6′ 4.14 dd (12.0, 2.0);
3.80 dd (12.0, 6.0)
68.5 t
1″ 4.41 d (8.0) 103.5 d
2″ 3.23 (9.0, 8.0) 73.8 d
3″ 3.36 overlap 76.4 d
4″ 3.30 overlap 70.0 d
5″ 3.28 overlap 76.5 d
6″ 3.88 dd (12.0, 2.0);
3.69 dd (12.0, 5.5)
61.3 t

a J values are in parentheses (shown in Hz); 13C NMR assignments were based on HSQC and HMBC experiments.