Phytochemicals Analysis, In Vitro Antibacterial Activities of Extracts, and Molecular Docking Studies of the Isolated Compounds from Melhania zavattarii Cufod Leaves

Table 3

The ¹H, ¹³C, and DEPT-135 NMR data (CDCl₃) system of compound 1 and values in the literature for β-amyrin palmitate [21, 22].

Carbon no.	δ^13C	Compound 1		β-amyrin palmitate
		DEPT-135	δ^1H (multiplicity and coupling)	δ^13C	δ^1H (multiplicity and coupling
1	38.3	-CH2-	1.60–1.66 (1H, m)	38.2	1.60 (1H, m), 1.31 (1H, m)
			1.34−1.30 (1H, m)
2	22.7	-CH2-	1.86–1.96 (1H, m)	22.7	1.85 (1H, m), 1.65 (1H, m)
			1.60–1.66 (1H, m)
3	80.6	-CH-	4.50–4.54 (1H, m)	80.6	4.51 (1H, dd, J = 8.0, 7.5 Hz)
4	37.8	Q	—	37.7
5	55.3	-CH-	0.89 (1H, m)	55.2	0.89 (1H, m)
6	18.3	-CH2-	1.58−1.54 (2H, m)	18.3	1.58 (1H, m), 1.54 (1H, m)
7	32.6	-CH2	1.27 (1H, m)	32.6	1.25 (1H, m), 1.15 (1H, m)
			1.15 (1H, m)
8	39.8	Q	—	39.8
9	47.2	-CH-	1.60–1.66 (1H, m)	47.2	1.60 (1H, m)
10	36.8	Q	—	36.8
11	23.6	-CH2-	1.86–1.96 (H, m)	23.7	1.95 (1H, m), 1.63 (1H, m)
			1.60–1.66 (1H, m)
12	121.7	-CH-	5.19 (1H, m)	121.6	5.20 (1H, t, J = 3)
13	145.2	Q	—	145.2
14	41.7	Q	—	41.7
15	26.9	-CH2-	1.15 (2H, m)	26.9	1.13 (2H)
16	26.1	-CH2-	1.27 (s, br)	26.1	1.25 (1H, m), 1.15 (1H, m)
			1.15 (1H, m)
17	32.5	Q	—	32.4
18	46.8	-CH-	1.86–1.96 (2H, m)	46.8	1.95 (1H, m)
19	47.6	-CH2-	1.86–1.96 (2H, m)	47.5	1.97 (1H, m), 1.63 (1H, m)
			1.60–1.66 (1H, m)
20	31.1	Q	—	31.1
21	34.9	-CH2-	(1.27, s, br)	34.7	1.45 (1H, m), 1.25 (1H, m)
			1.58−1.54 (1H, m)
22	37.2	-CH2-	(1.27, s, br)	37.1	1.63 (1H, m), 1.25 (1H, m)
			1.60–1.66 (1H, m)
23	28.4	-CH3	0.89 (3H, s)	28.4	0.89 (3H, s)
24	16.8	-CH3	0.85 (3H, s)	16.8	0.85 (3H, s)
25	15.6	-CH3	0.90 (3H, s)	15.5	0.89 (3H, s)
26	16.8	-CH3	0.98 (3H, s)	16.8	0.98 (3H, s)
27	25.9	-CH3	1.15 (3H, s)	25.9	1.14 (3H, s)
28	28.1	-CH3	0.85 (3H, s)	28.0	0.85 (3H, s)
29	33.3	-CH3	0.89 3H, s	33.3	0.89 (3H, s)
30	23.7	-CH3	0.89 (3H, s)	23.6	0.89 (3H, s)
1′	173.7	Q (C=O)	—	173.6
2′	34.7	-CH2-	2.31 (2H, td, J = 7.8, 3)	34.9	2.30 (2H, dd, J = 7.6, 7.2)
3′	25.2	-CH2-	1.60–1.66 (2H,m)	25.2	1.60 (2H, m)
4′–13′	29.2′–29.7′	-CH2-	1.27 (24H, m overlapped)	29.2′–30.0′	1.26 (20H, m)
14′	31.9	-CH2-		31.9	1.26 (2H, m)
15′	23.5	-CH2-		23.5	1.28 (2H, m)
16′	14.1	-CH3	0.89 (3H, t)	14.1	0.88 (3H, m)