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

Table 3

¹H-NMR (400 MHz, CDCl₃) and ¹³C-NMR (101 MHz) of compound 7 and NMR data reported for threo-carolignan E.

C no.	Compound 7		Threo-carolignan E [28]
	δ^1H (J in Hz)	δ^13C	δ^13C
1	—	127.1	126.9
2	7.02–7.07 (m, 1H)	109.5	109.3
3	—	147.0	146.8
4	—	148.2	148.0
5	6.79–6.95 (m, 1H)	114.9	114.7
6	7.02–7.07 (m, 1H)	123.3	123.2
7	7.51 (d, J = 15.9, 1H)	145.6	145.5
8	6.28 (d, J = 15.9, 1H)	114.9	114.7
9	—	167.0	166.8
1′	—	131.3	131.1
2′	6.79–6.95 (m, 1H)	109.4	109.2
3′	—	146.9	146.7
4′	—	145.8	145.6
5′	6.79–6.95 (m, 1H)	114.5	114.3
6′	6.79–6.95 (m, 1H)	120.6	120.4
7′	4.94 (br. s, 1H)	74.6	74.4
8′	4.18–4.27 (m, 1H)	86.5	86.3
9′	4.09–4.17 (m, 1H); 4.35–4.38 (m, 1H)	63.2	63.0
1″	—	137.6	137.4
2″	6.77 (m, 1H)	112.5	112.3
3″	—	150.9	150.7
4″	—	146.2	146.0
5″	7.02–7.07 (m, 1H)	120.8	120.6
6″	6.72–6.79 (m, 1H)	121.2	121.0
7″	2.70 (t, J = 7.8, 2H)	32.2	32.0
8″	2.00–2.04 (br. s, 2H)	30.6	30.4
9″	4.23 (t, J = 6.2, 2H)	63.8	63.6
1‴	—	127.0	126.7
2‴	7.02–7.07 (m, 1H)	109.5	109.3
3‴	—	147.0	146.8
4‴	—	148.3	148.1
5‴	6.79–6.95 (m, 1H)	114.9	114.7
6‴	7.08 (br. s, 1H)	123.2	123.0
7‴	7.62 (d, J = 15.9, 1H)	145.3	145.0
8‴	6.32 (d, J = 15.9, 1H)	115.5	115.3
9‴	—	167.5	167.3
3-OCH3	3.85 (br. s, 3H)	56.1	55.9
3′-OCH3	3.93 (br. s, 3H)	56.1	55.9
3″-OCH3	3.90 (br. s, 3H)	56.0	55.8
3‴-OCH3	3.94 (br. s, 3H)	56.1	55.9
4-OH	5.89 (br. s, 1H)	—	—
4′-OH	5.61 (br. s, 1H)	—	—
4″-OH	5.89 (br. s, 1H)	—	—