In Vitro Antibacterial, DPPH Radical Scavenging Activities, and In Silico Molecular Modeling of Isolated Compounds from the Roots of Clematis hirsuta

Table 1

¹H-NMR (400 MHz, CDCl₃) and ¹³C-NMR (101 MHz) of compounds 3 and 4 and reported NMR data for stigmasterol and β-sitosterol.

C no	Compound 3		Stigmasterol [26]	Compound 4		β-sitosterol [26]
	δ^1H	δ^13C	δ^13C	δ^1H	δ^13C	δ^13C
1	1.85 & 1.08 (br. s, 2H)	37.4	37.2	1.85 &1.08 (br. s, 2H)	37.4	37.2
2	1.83 (br. s, 2H)	31.8	31.6	1.83 &1.52 (br. s, 2H)	31.8	31.9
3	3.53 (m, 1H)	72.0	71.9	3.53 (br. s, 1H)	72.0	71.8
4	2.27 & 2.24 (br. s, 2H)	42.4	42.2	2.23 &2.27 (br. s, 2H)	42.5	42.3
5	—	140.9	140.7	—	140.9	140.7
6	5.36 (br. s, 1H)	121.9	121.7	5.36 (br. s, 1H)	121.9	121.7
7	2.00 &1.50 (br. s, 2H)	32.1	31.9	2.00 (br. s, 2H)	32.1	31.9
8	1.50 (1H)	32.1	31.9	1.50 (br. s, 1H)	32.1	32.4
9	0.93 (br. s, 1H)	50.3	50.1	0.93 (br. s, 1H)	50.3	50.1
10	—	36.7	36.5	—	36.7	36.5
11	1.50 (br. s, 2H)	21.2	21.0	1.50 (br. s, 2H)	21.2	21.1
12	2.00 &1.16 (br. s, 2H)	39.9	39.7	1.16 & 1.19 (br. s, 2H)	39.9	39.8
13	—	42.4	42.4	—	42.5	42.3
14	1.01 (br. s, 1H)	57.0	56.8	1.06 (br. s, 1H)	57.0	56.9
15	1.57 & 1.16 (br. s, 2H)	24.5	24.4	1.43 & 1.16 (br. s, 2H)	24.5	25.5
16	1.63 & 1.25 (br. s, 2H)	29.2	28.9	1.85 & 1.25 (br. s, 2H)	28.4	28.2
17	1.16 (br. s, 1H)	56.1	56.0	1.11 (br. s, 1H)	56.1	56.1
18	0.82 (s, 3H)	12.1	11.8	0.68 (s, 3H)	12.2	12.2
19	1.01 (br. s, 3H)	19.2	19.1	1.01 (br. s, 3H)	19.5	19.4
20	2.04 (1H)	40.6	40.5	1.38 (br. s, 1H)	36.3	35.9
21	1.03 (3H)	21.4	21.5	0.92 (br. s, 3H)	19.2	18.6
22	5.14 (m, 1H)	138.5	138.3	1.34 & 1.01 (br. s, 2H)	34.1	33.9
23	5.02 (m, 1H)	129.4	129.3	1.18 & 1.16 (br. s, 2H)	26.2	26.1
24	1.53 (1H)	51.4	51.2	0.93 (br. s, 1H)	46.0	45.8
25	1.45 (1H)	36.3	36.1	1.67 (br. s, 1H)	29.3	29.1
26	0.84 (br. s, 3H)	20.0	19.8	0.86 (br. s, 3H)	21.2	21.0
27	0.70 (br. s, 3H)	19.0	18.9	0.86 (br. s, 3H)	19.0	18.6
28	1.43 &1.16 (br. s, 2H)	25.6	25.4	1.28 (br. s, 2H)	23.2	22.9
29	0.68 (br. s, 3H)	12.4	12.0	0.86 (br. s, 3H)	12.0	12.0