Table 1.
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 |