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

Table 2. 1H and 13C NMR data of the aglycone moiety of saponins 7–12 in pyridine-d5.

Position 7 8 9 10 11 12
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 0.95 m, 1.65 m 37.5 0.94 m, 1.65 m 37.5 0.96 (m), 1.66 o 37.5 0.95 m, 1.66 m 37.5 0.95 m, 1.66 m 37.5 0.94 m, 1.64 o
2 30.1 1.67 m, 2.09 m 30.1 1.69 m, 2.09 o 30.1 1.68 o, 2.09 (m) 30.1 1.69 m, 2.09 m 30.2 1.69 m, 2.08 m 30.1 1.68 m, 2.08 o
3 78.2 3.88 m 78.2 3.87 m 78.2 3.88 (m) 78.2 3.88 m 78.2 3.88 m 78.2 3.86 m
4 39.3 2.41 m, 2.64 m 39.2 2.40 brt (12.0), 2.63 br d (12.0) 39.3 2.41 brt (11.4), 2.64 dd (3.0, 12.0) 39.3 2.41 brt (12.0), 2.64 dd (3.0, 12.0) 39.3 2.41 brt (11.4), 2.64 m 39.3 2.40 brt (12.0), 2.63 br d (12.0)
5 141.1 – 141.0 – 141.0 – 141.0 – 141.0 – 141.0 –
6 121.6 5.28 br s 121.5 5.27 br d (5.4) 121.6 5.28 br d (4.8) 121.6 5.28 br d (4.2) 121.6 5.29 br s 121.6 5.27 br d (4.8)
7 32.0 1.45 m, 1.82 m 32.0 1.45 o, 1.81 o 32.3 1.47 o, 1.83 (m) 32.3 1.47 o, 1.81 m 32.4 1.48 o, 1.84 m 32.3 1.45 m, 1.82 m
8 31.1 1.50 m 31.0 1.46 o 31.4 1.47 o 31.3 1.43 m 31.4 1.47 m 31.6 1.49 dq (4.8, 10.8)
9 50.1 0.83 m 50.0 0.81 m 50.2 0.86 o 50.2 0.85 m 50.3 0.86 m 50.3 0.84 o
10 37.0 – 37.0 – 37.0 – 37.0 – 37.0 – 37.0 –
11 20.6 1.37 o 20.5 1.36 o 21.2 1.40 (m), 1.42 (m) 21.2 1.35 m, 1.41 m 21.3 1.36 m, 1.41 m 21.1 1.34 m, 1.38 m
12 39.3 1.15 m, 1.88 m 39.3 1.10 o, 1.81 m 39.6 1.16 dt (4.8, 12.6), 1.73 o 39.6 1.13 o, 1.71 m 39.7 1.13 m, 1.71 m 39.8 1.04 m, 1.63 o
13 40.4 – 40.3 – 43.3 – 43.5 – 43.4 – 40.4 –
14 57.0 0.93 m 56.7 0.88 (m) 55.1 0.86 o 54.9 0.83 m 54.9 0.84 m 56.6 0.99 m
15 33.5 1.47 m, 2.04 m 33.5 1.39 dt (13.2, 4.8), 1.98 m 34.4 1.49 dt (13.2, 5.4), 2.10 (m) 34.5 1.44 o, 2.06 o 34.5 1.46 m, 2.08 m 32.0 1.31 o, 1.93 m
16 84.3 5.20 m 83.9 4.95 dt (4.2, 7.2) 85.1 4.82 o 84.6 4.84 o 84.5 4.79 o 81.4 4.43 o
17 67.9 2.22 d (6.0) 66.7 2.06 d (6.0) 64.8 2.48 d (10.2) 64.5 2.50 d (10.2) 64.5 2.43 d (9.6) 62.2 1.72 dd (6.6, 8.4)
18 13.6 0.89 s 13.6 0.84 s 14.6 0.75 s 14.3 0.68 s 14.2 0.70 s 16.3 0.74 s
19 19.4 0.89 s 19.4 0.88 s 19.4 0.89 s 19.4 0.88 s 19.4 0.88 s 19.4 0.86 s
20 76.7 – 82.4 – 109.0 – 109.0 – 103.5 – 42.5 1.91 m
21 21.9 1.71 s 15.3 1.37 s 11.6 1.73 s 11.6 1.73 s 11.8 1.62 s 14.7 1.09 d (7.2)
22 163.8 – 157.3 – 150.7 – 150.0 – 152.5 – 111.3 –
23 91.4 4.52 br s 96.1 4.33 t (7.2) 73.1 4.18 dd (6.0, 8.4) 73.6 4.22 m 23.7 2.16 m, 2.24 m 34.1 2.09 o, 2.10 o
24 29.7 2.13 m, 2.51 m 29.6 2.19 dt (13.8, 7.8), 2.48 dt (6.0, 13.8) 37.6 1.63 m, 2.29 ddd (6.0, 8.4, 13.8) 37.3 1.86 dt (13.8, 7.8), 2.06 o 31.4 1.45 m, 1.85 m 72.9 4.80 dt (10.8, 5.4)
25 34.9 2.09 m 34.9 2.11 (m) 31.0 2.22 m 31.1 2.22 m 33.8 1.94 m 31.8 2.25 m
26 75.4 3.52 dd (6.0, 9.0), 4.16 o 75.4 3.56 dd (7.2, 9.6), 4.15 o 75.6 3.53 dd (6.6, 9.6), 4.09 o 75.4 3.55 dd (7.2, 9.6),4.14 o 75.3 3.47 dd (6.6, 9.6), 4.06 o 64.2 3.50 br d (10.2), 3.89 m
27 17.5 1.07 d (6.0) 17.6 1.10 d (6.6) 17.5 1.07 d (6.6) 17.9 1.12 d (6.6) 17.2 1.02 d (6.6) 9.9 1.31 d (6.6)
OCH3 – – 48.9 3.17 s 56.3 3.35 s 55.9 3.31 s – – – –