Skip to main content
. 2025 Jul 11;15(30):24270–24288. doi: 10.1039/d5ra01835h

Table 5. Theoretical 1H-NMR spectra and 13C-NMR spectra of compounds A, B, and C.

Carbon Theoretical Experimental Proton Theoretical Experimental
CompoundA
5-C 1.38 14.46 26-H 8.23 10.43
15-C 11.31 17.67 27-H 7.99 9.75
10-C 12.38 53.99 25-H 7.83 7.44
8-C 30.07 60.18 24-H 7.75 7.08
3-C 31.46 100.74 22-H 7.46 7.15
12-C 47.05 122.87 23-H 6.75 6.97
13-C 55.15 113.44 21-H 5.64 5.21
9-C 63.42 113.73 34-H 4.73 4.05
11-C 63.70 131.27 35-H 4.58 2.50
2-C 75.73 164.21 29-H 3.64 1.12
20-C 117.13 146.51 28-H 3.17
1-C 121.13 160.97 30-H 2.13
18-C 160.68 174.61 33-H 2.06
19-C 168.93 165.43 32-H 2.04
31-H 1.83
CompoundB
1-C 184.11 161.1 15-H 8.33 10.5
9-C 180.60 160.2 16-H 7.55 7.57
5-C 179.85 154.8 14-H 7.47 6.79
10-C 178.98 153.4 18-H 6.68 6.68
3-C 148.54 126.5 17-H 5.60 6.10
4-C 134.89 112.8 20-H 3.12 2.99
2-C 131.46 110.2
11-C 130.41 112.0
6-C 122.08 102.1
13-C 37.26 18.0
CompoundC
15-C 68.8 69.2 47-H 7.542587 9.24
28-C 188.78 163.2 48-H 7.51 7.78
23-C 187.15 165.2 45-H 7.25 7.39
3-C 182.55 147.6 43-H 7.23 6.99
1-C 176.83 147.6 36-H 7.23 9.24
21-C 169.01 163.2 46-H 7.16 7.09
18-C 167.65 163.2 34-H 6.48 5.15
7-C 160.07 160.8 44-H 6.46 7.36
25-C 153.03 160.8 35-H 6.45 7.05
5-C 146.98 113.0 37-H 4.73 6.99
26-C 145.29 130.5 38-H 4.54 4.03
22-C 138.08 122.2 55-H 4.10 4.00
8-C 137.54 98.6 51-H 2.38 2.24
24-C 136.35 114.1 41-H 2.05 2.25
6-C 134.35 130.4 39-H 1.86 1.09
4-C 127.76 98.6
9-C 127.28 98.6
19-C 126.70 122.1
2-C 121.73 122.0
33-C 82.90 98.6
20-C 77.49 98.6
31-C 37.49 40.1
12-C 35.70 14.0
32-C 31.10 17.7