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. 2022 Dec 10;27(24):8765. doi: 10.3390/molecules27248765

Table 1.

Spectrum data for compounds 4e and 7e.

1H NMR
Compound 4e
Compound 7e
1H-1H COSY Assignment
8.98 (s; 2H)
8.98 (s; 2H)
5.50
5.50
H-5
H-5
7.85 (d, J = 8.3; 2H)
7.85 (d, J = 8.3; 2H)
7.48
7.48
H-4′
H-4′
7.78 (dd, J = 8.4, 7.9; 2H)
7.79 (d, J = 8.0; 2H)
7.73, 7.35
7.75
H-12
H-13
7.73 (d, J = 8.3; 2H)
7.75 (dd, J = 9.0, 8.3; 2H)
7.78
7.79. 7.31
H-13
H-12
7.48 (dd, J = 7.6, 7.1; 2H)
7.48 (dd, J = 7.6, 6.5; 2H)
7.85, 7.35
7.85
H-3′
H-3′
7.43 (d, J = 8.0; 2H)
7.43 (d, J = 8.2; 2H)
H-10
H-10
7.35 (dd, J = 7.6, 7.3; 2H)
7.35 (dd, J = 7.7, 7.4; 2H)
7.79, 7.48 H-11
H-11
7.31 (d, J = 7.6; 2H)
7.31 (d, J = 7.7; 2H)
7.48
7.48
H-2′
H-2′
7.04 (s; 2H)
7.03 (s; 2H)
H-8
H-8
5.50 (s; 4H)
5.50 (s; 4H)
8.98
8.98
H-4a
H-4a
3.74 (s; 6H)
3.74 (s; 6H)
H-6a
H-6a
13C NMR HSQC HMBC Assignment
160.31
160.31
3.74
3.74
C-7
C-7
153.38
153.38
7.85, 7.43, 5.50
7.85, 7.43, 7.31, 5.50
C-1′
C-1′
143.44
143.44
8.98
8.98, 7.03, 5.50
C-4
C-4
142.64
142.64
7.48, 7.04, 5.50
7.48
C-9
C-9
140.14
140.14
7.78, 7.48, 3.74
7.48, 3.74
C-13a
C-13a
132.32
132.32
7.79
7.79
7.43
7.48, 7.35
C-12
C-12
126.68
126.66
8.98
8.98
8.98
8.98, 7.43, 7.31, 5.50
C-5
C-5
126.06
126.07

7.43
7.85, 7.43, 7.31, 5.50
7.85
C-4
C-10
125.51
125.50
7.43
7.48
C-10
C-3′
125.30
125.29
C-4a’
C-4a’
124.50
124.50
7.48
7.35

7.79, 7.35
C-3′
C-11
122.78
122.73
7.35 7.73
7.75
C-11
C-9a
117.24
117.24
7.04
7.03
7.04
7.03
C-8
C-8
115.55
115.56
7.73
7.75
7.73, 7.35, 7.04, 3.74
7.75, 7.35, 7.04, 3.74
C-13
C-13
114.51
114.52
7.85
7.85
7.31
7.31
C-4a’,8a’,9a
C-4′
106.84
106.85
7.31
7.31
7.85
7.85
C-2′
C-2′
61.69
61.70
5.50
5.50

5.50
C-4a
C-4a
29.59
29.59
3.74
3.74
3.74
3.74
C-6a
C-6a
15 N NMR 1H-15N HSQC 1H-15N HMBC Assignment
246.9
246.9
8.98, 7.04
8.98, 7.03
N-3 or N-1
N-1
146.9
146.9
7.04, 3.74
7.03, 3.74
N-6
N-6