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. 2020 Jan 21;10(6):3343–3356. doi: 10.1039/c9ra09542j

1H and 13C NMR dataa (δ in ppm) of 11 and 12 in C5D5N.

No. 11 12
δ H (J in Hz)b δ C c δ H (J in Hz)b δ C c
1.60, m 41.1 1.55, m 41.3
2.70 br d (11.7) 2.75, br d (13.2)
2 1.69, m; 1.78, m 23.7 1.74, m; 1.99, m 24.2
3 5.75, dd (12.0, 5.6) 78.0 5.82, dd (12.1, 4.5) 78.1
4 52.4 52.6
5 2.09, br d (11.3) 51.7 2.05, br d (10.0) 51.7
6 1.60, m; 1.78, m 21.3 1.58, m; 1.75, m 21.3
7 1.27, m; 1.73, m 33.9 1.25, m; 1.70, m 34.4
8 42.8 41.5
9 2.15, d (8.8) 52.5 2.10, d (10.4) 50.8
10 38.1 37.8
11 5.36, d (8.8) 68.1 4.77, d (10.4) 67.7
12 146.6 145.6
13 113.9 121.6
14 41.0 43.2
15 0.92, m; 1.75, m 27.3 0.92, m; 1.73, m 27.2
16 0.79, m; 2.02, m 27.9 0.77, m; 2.00, m 27.8
17 33.3 33.6
18 2.68, d (10.7) 46.0 2.86, d (11.1) 46.6
19 1.50, m 41.3 1.47, m 39.8
20 0.76, m 39.5 1.01, m 39.7
21 1.25, m; 1.31, m 31.6 1.28, m; 1.45, m 31.5
22 1.28, m; 1.41, m 41.9 1.29, m; 1.40, m 41.3
23 179.2 179.2
24 1.62, s 12.9 1.52, s 12.8
25 1.45, s 17.2 0.80, s 16.2
26 1.20, s 18.2 1.14, s 18.6
27 1.34, s 24.2 1.32, s 23.9
28 0.91, s 28.9 0.88, s 28.6
29 1.32, d (6.2) 17.1 1.25, d (6.5) 18.0
30 0.88, d (6.2) 21.0 0.91, d (6.4) 21.0
1′ 132.1 128.0
2′ 7.37, br s 112.0 7.49, br s 115.0
3′ 148.6 148.2
4′ 148.2 148.1
5′ 7.28, d (7.9) 116.4 7.26, d (7.8) 115.8
6′ 7.23, br d (7.9) 121.1 7.48, br d (7.8) 123.5
7′ 5.22, d (10.4) 77.9 5.20, d (3.7) 75.2
8′ 4.99, dd (10.5, 3.1) 77.6 4.88, ddd (7.1, 5.5, 3.7) 81.2
9′ 3.88, dd (11.9, 4.6) 62.2 4.03, dd (12.0, 5.5) 62.7
4.04, br d (11.9) 4.29, dd (12.0, 7.1)
graphic file with name c9ra09542j-t1.jpg 3.86, s 55.9 3.83, s 55.9
graphic file with name c9ra09542j-t2.jpg 169.9 170.0
graphic file with name c9ra09542j-t3.jpg 1.91, s 21.3 1.91, s 21.2
a

Assignments were made by a combination of 1D and 2D NMR experiments.

b

measured at 400 MHz.

c

measured at 150 MHz.