No. | δC compound 3 | δC compound 1 | δH compound 3 | δH compound 1 | HMBC (H→C) | COSY |
1 | 168.4 C | 169.7 C | - | - | - | - |
2 | 135.0 C | 133.2 C | - | - | - | - |
2-Me | 12.6 CH3 | 12.8 CH3 | 2.02 s | 1.93 s | 1, 2, 3 | - |
3 | 127.0 CH | 128.7 CH | 6.95 d (11.4) | 6.95 d | 1, 2, 2-Me, 4, 5 | 4 |
4 | 126.6 CH | 126.3 CH | 6.57 t (11.4) | 6.58 t | 2, 3, 5 | 3, 5 |
5 | 135.8 CH | 138.7 CH | 5.86 m | 5.81 brs | 3, 4, 6, 7 | 4, 6 |
6 | 81.3 CH | 82.3 CH | 4.31 d (9.9) | 4.36 d (7.6) | 4, 6-OMe | 5, 7 |
6-OMe | 57.1 CH3 | 57.1 CH3 | 3.27 s | 3.24 s | 6 | - |
7 | 81.8 CH | 81.1 CH | 5.18 s | 4.88 brs | 5, 7-OCONH2, 8, 8-Me, 9 | 6 |
7-OCONH2 | 156.1 C | 156.6 C | - | - | - | - |
8 | 132.8 C | 129.1 C | - | - | - | - |
8-Me | 12.8 CH3 | 13.0 CH3 | 1.80 s | 1.62 s | 7, 8, 9 | - |
9 | 133.8 CH | 132.4 CH | 5.89* | 5.50 d (8.5) | 7, 8-Me, 10-Me, 11 | 10 |
10 | 32.4 CH | 32.6 CH | 2.74 m | 2.56 | 8, 9, 10-Me | 9, 10-Me, 11 |
10-Me | 12.4 CH3 | 13.4 CH3 | 1.00 d (6.9) | 0.75 d (6.8) | 9, 10, 11 | 10 |
11 | 72.7 CH | 72.4 CH | 3.57 m | 3.09 brs | 9, 10, 10-Me, 12 | 10, 12 |
11-OH | - | - | - | - | - | - |
12 | 81.6 CH | 80.7 CH | 3.45 m | 3.09 brs | 10, 11, 12-OMe, 14 | 11, 13 |
12-OMe | 56.7 OCH3 | 56.5 CH3 | 3.36 s | 3.23 s | 12 | - |
13 | 35.2 CH2 | 31.3 CH2 | 1.77 m | 1.45 brs | 11, 12, 14 | 12 |
14 | 28.6 CH | 27.1 CH | 1.77 m | 1.93 s | 12, 13 | 14-Me, 15b |
14-Me | 23.0 CH3 | 23.9 CH3 | 0.94 d (6.3) | 0.97 brs | 13, 14, 15 | 14 |
15a | 34.5 CH2 | 32.2 CH2 | 2.68 m | 2.43 dd (12.5, 9.9) | 13, 14, 14-Me, 16, 17, 21 | 15b |
15b | 2.44 m | 2.18 dd (12.5, 4.8) | 14, 16, 17, 21 | 14, 15a | ||
16 | 108.5 C | 128.7 C | - | - | - | - |
17 | 145.0 C | 156.9 C | - | - | - | - |
17-OMe | - | 61.6 CH3 | - | 3.96 s | - | - |
18 | 183.9 C | 184.3 C | - | - | - | - |
19 | 108.7 CH | 111.3 CH | 7.24 s | 7.04 s | 17, 21 | - |
20 | 141.4 C | 140.1 C | - | - | - | - |
21 | 180.6 C | 183.6 C | - | - | - | - |
22a | 45.6 CH2 | - | 3.92 m | - | 23, 24 | 22b, 22-NH, 23 |
22b | 3.76 m | - | 23, 24 | 22a, 22-NH, 23 | ||
23 | 25.8 CH2 | - | 3.11 t (6.6) | - | 22, 24, 25 | 22a, 22b |
24 | 111.0 C | - | - | - | - | - |
25 | 123.4 CH | - | 7.09* | - | 23, 24, 26, 27 | - |