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. 2016 Mar 3;11(3):e0150595. doi: 10.1371/journal.pone.0150595

Table 1. 1H and 13C NMR data of the aglycone moiety of saponins 1–6 in pyridine-d5.

Position 1 2 3 4 5 6
δC δH J (Hz) δC δH J (Hz) δC δH J (Hz) δC δH J (Hz) δC δH J (Hz) δC δH J (Hz)
1 37.5 0.94 m, 1.64 m 37.5 0.92 m, 1.64 m 37.0 0.85 m, 1.40 m 37.5 0.93 m, 1.65 m 37.5 0.93 m, 1.66 o 36.5 0.94 o, 1.65 o
2 30.1 1.67 m, 2.06 m 30.1 1.67 m, 2.07 m 29.8 1.63 m, 2.03 m 30.1 1.69 m, 2.08 m 30.1 1,65 o, 2.04 o 29.8 1.70 o, 2.10 m
3 78.2 3.86 m 78.2 3.88 m 77.7 3.87 m 78.1 3.88 m 78.2 3.84 m 77.1 3.90 m
4 39.3 2.39 m, 2.63 br d (12.6) 39.3 2.41 o, 2.64 m 39.0 2.37 m, 2.66 dd (3.0, 13.2) 39.3 2.37 m, 2.64 dd (3.0, 13.2) 39.2 2.39 br t (12.0), 2.64 dd (3.0, 12.0) 39.0 2.44 t (12.0), 2.73 br d (12.0)
5 141.1 141.2 141.0 141.2 141.1 165.3
6 121.6 5.28 br s 121.6 5.30 br s 121.2 5.27 br s 121.4 5.28 br s 121.8 5.28 br s 126.1 5.72 s
7 32.0 1.46 m, 1.84 m 32.1 1.50 m, 1.85 m 31.3 1.48 m, 1.87 m 31.9 1.48 m, 1.82 m 32.2 1.44 m, 1.87 m 201.0
8 31.2 1.48 m 31.6 1.49 m 30.4 1.81 m 31.0 1.47 m 30.9 1.54 m 45.1 2.38 t (12.0)
9 50.4 0.83 m 50.5 0.90 m 53.1 1.31 m 50.4 0.87 m 50.1 1.28 m 50.0 1.36 m
10 37.0 37.0 37.7 37.0 37.2 39.0
11 20.8 1.37 m, 1.40 m 21.0 1.47 o 37.0 2.23 dd (5.4, 13.2),2.57 t (13.2) 20.6 1.40 o 31.5 1.67 m, 1.85 m 21.1 1.40 o
12 39.7 1.11 dt (4.8, 12.6), 1.63 o* 40.1 1.34 dt (4.8, 13.2), 2.65 m 211.9 38.2 1.07 m, 2.14 m 79.1 3.57 m 38.7 1.03 m, 1.69 o
13 42.5 43.0 56.8 42.3 46.6 41.6
14 54.7 0.76 m 54.3 0.89 m 54.0 1.18 m 54.1 0.75 m 55.4 1.11 m 50.0 1.48 dt (6.0, 12.0)
15 37.5 1.52 dt (4.2, 12.6), 2.22 m 36.0 1.16 m, 2.41 m 34.7 1.52 o, 2.47 m 35.5 1.25 m, 2.40 m 32.2 1.60 m, 2.06 o 34.5 1.73 dt (6.0, 13.2), 3.27 dt (6.0, 13.2)
16 72.9 4.83 o 75.4 5.33 dt (4.2 7.8) 73.4 5.62 dt (4.2, 7.8) 74.7 5.64 dt (4.2 7.8) 81.2 5.02 o 81.3 5.04 m
17 59.9 1.86 d (7.2) 62.4 1.58 m 59.0 3.27 d (7.8) 66.6 2.46 d (7.2) 63.7 2.30 dd (6.6, 8.4) 62.9 1.86 dd (6.6, 7.8)
18 15.8 1.38 s 13.3 1.18 s 13.9 1.52 s 13.8 1.19 s 11.3 1.14 s 16.6 0.88 s
19 19.4 0.87 s 19.5 0.89 s 18.9 0.90 s 19.4 0.87 s 19.4 0.90 s 17.1 0.95 s
20 82.5 65.2 4.45 m 204.4 205.5 41.8 2.45 m 40.7 2.21 q (6.6)
21 28.6 1.72 s 24.2 1.43 d (6.6) 30.7 2.26 s 30.5 2.12 s 15.7 1.59 d (6.6) 16.6 1.31 d (6.6)
22 215.8 173.1 173.3 173.3 110.9 110.7
23 36.0 3.14 m 32.5 2.41 o, 2.46 dd (6.6, 9.0) 32.2 2.37 m, 2.42 m 32.2 2.36 m, 2.42 m 37.3 1.99 m, 2.11 m 37.3 1.96 m, 2.04 m
24 27.7 1.60 m, 2.13 m 29.2 1.58 m, 1.99 m 29.0 1.57 m, 1.94 m 29.0 1.57 m, 1.94 m 28.4 1.67 m, 2.04 o 28.4 1.66 m, 2.05 o
25 33.7 1.97 m 33.6 1.92 m 33.5 1.86 m 33.5 1.86 m 34.5 1.92 m 34.7 1.91 m
26 75.6 3.50 dd (6.6, 9.0), 4.07 o 74.8 3.46 dd (6.6, 9.6), 3.99 o 74.7 3.44 dd (6.0, 9.6), 3.95 o 74.8 3.44 dd (6.6, 9.6), 3.95 o 75.5 3.45 dd (7.2, 9.0), 4.07 o 75.4 3.45 dd (7.2, 9.6), 4.07 o
27 17.2 1.00 d (7.2) 16.9 0.96 d (6.6) 16.9 0.91 d (6.6) 16.9 0.91 d (6.6) 17.5 1.01 d (7.2) 17.5 1.01 d (6.6)

* o = overlapped