TABLE 2
13C NMR data for metabolites M1 to M8 (d in ppm)
No. | M1 | M2 | M3 | M4 | M5 | M6 | M7 | M8 | Echinacoside |
|---|---|---|---|---|---|---|---|---|---|
| Aglycone | |||||||||
| 1 | 131.6 | 132.9 | 138.0 | 132.5 | 131.6 | 131.5 | 132.9 | 132.9 | 131.4 |
| 2 | 113.8 | 117.1 | 115.0 | 124.5 | 113.8 | 113.7 | 117.1 | 117.1 | 116.5 |
| 3 | 148.8 | 147.3 | 153.0 | 142.6 | 148.8 | 148.7 | 147.3 | 147.3 | 146.1 |
| 4 | 145.9 | 147.5 | 141.2 | 151.7 | 145.9 | 145.8 | 147.5 | 147.6 | 144.5 |
| 5 | 116.1 | 112.9 | 123.6 | 112.5 | 116.1 | 116.1 | 112.9 | 112.9 | 117.1 |
| 6 | 122.4 | 121.2 | 121.9 | 127.1 | 122.4 | 122.4 | 121.2 | 121.2 | 121.3 |
| α | 72.3 | 72.2 | 71.9 | 72.0 | 72.3 | 72.2 | 72.2 | 72.2 | 72.3 |
| β | 36.7 | 36.5 | 36.9 | 36.4 | 36.7 | 36.6 | 36.5 | 36.5 | 36.6 |
| Inner glucose | |||||||||
| 1′ | 104.2 | 104.2 | 104.1 | 104.2 | 104.2 | 104.1 | 104.2 | 104.2 | 104.1 |
| 2′ | 76.1 | 76.1 | 76.1 | 76.1 | 76.2 | 76.0 | 76.1 | 76.1 | 76.1 |
| 3′ | 81.3 | 81.4 | 81.7 | 81.8 | 81.5 | 81.6 | 81.5 | 81.6 | 81.6 |
| 4′ | 70.8 | 70.8 | 70.7 | 70.7 | 70.6 | 70.6 | 70.6 | 70.7 | 70.5 |
| 5′ | 74.6 | 74.6 | 74.7 | 74.7 | 74.7 | 74.5 | 74.8 | 74.7 | 74.7 |
| 6′ | 69.4 | 69.4 | 69.4 | 69.4 | 69.4 | 69.3 | 69.4 | 69.4 | 69.4 |
| Rhamnose | |||||||||
| 1″ | 102.9 | 102.9 | 103.1 | 103.1 | 103.0 | 103.0 | 103.0 | 103.1 | 103.1 |
| 2″ | 72.1 | 72.1 | 72.0 | 72.0 | 72.1 | 72.0 | 72.1 | 72.0 | 71.9 |
| 3″ | 72.3 | 72.3 | 72.3 | 72.3 | 72.3 | 72.2 | 72.3 | 72.3 | 72.4 |
| 4″ | 73.7 | 73.7 | 73.7 | 73.8 | 73.8 | 73.7 | 73.7 | 73.7 | 73.7 |
| 5″ | 70.4 | 70.4 | 70.4 | 70.4 | 70.4 | 70.4 | 70.4 | 70.4 | 70.4 |
| 6″ | 18.5 | 18.5 | 18.4 | 18.5 | 18.4 | 18.4 | 18.4 | 18.4 | 18.4 |
| Outer glucose | |||||||||
| 1‴ | 104.6 | 104.6 | 104.7 | 104.7 | 104.7 | 104.5 | 104.7 | 104.7 | 104.6 |
| 2‴ | 75.1 | 75.1 | 75.1 | 75.1 | 75.1 | 75.0 | 75.1 | 75.1 | 75.1 |
| 3‴ | 77.8 | 77.8 | 77.8 | 77.8 | 77.8 | 77.7 | 77.8 | 77.8 | 77.8 |
| 4‴ | 71.5 | 71.4 | 71.5 | 71.5 | 71.5 | 71.3 | 71.5 | 71.4 | 71.4 |
| 5‴ | 77.9 | 77.9 | 77.9 | 77.9 | 77.9 | 77.8 | 77.9 | 77.9 | 77.9 |
| 6‴ | 62.7 | 62.7 | 62.6 | 62.6 | 62.6 | 62.5 | 62.6 | 62.6 | 62.6 |
| Ester | |||||||||
1 | 128.7 | 128.7 | 128.8 | 128.8 | 127.1 | 128.7 | 127.6 | 128.8 | 127.6 |
2 | 117.9 | 117.9 | 114.9 | 114.9 | 111.7 | 114.8 | 111.8 | 114.9 | 114.6 |
3 | 147.9 | 147.9 | 148.0 | 148.0 | 151.8 | 147.8 | 150.9 | 148.1 | 146.8 |
4 | 153.6 | 153.6 | 151.7 | 151.7 | 149.6 | 151.6 | 149.4 | 151.7 | 149.6 |
5 | 113.5 | 113.6 | 112.5 | 112.5 | 116.7 | 112.5 | 116.5 | 112.5 | 116.3 |
6 | 126.0 | 126.1 | 123.1 | 123.1 | 124.6 | 123.1 | 124.4 | 123.1 | 123.3 |
| α ′ | 116.5 | 116.5 | 115.8 | 115.8 | 114.7 | 115.7 | 115.1 | 115.7 | 115.2 |
| β ′ | 147.3 | 147.3 | 147.8 | 147.8 | 148.3 | 147.8 | 148.1 | 147.8 | 148.2 |
| C = O | 168.2 | 168.2 | 168.3 | 168.3 | 168.5 | 168.3 | 168.4 | 168.3 | 168.4 |
| Glucuronic acid | |||||||||
1 | 102.9 | 102.9 | |||||||
2 | 74.7 | 74.6 | |||||||
3 | 77.3 | 77.3 | |||||||
4 | 73.1 | 73.0 | |||||||
5 | 76.5 | 76.5 | |||||||
6 | 173.6 | 173.3 | |||||||
| 3-OCH3 | 56.5 | 56.7 | 56.5 | 56.5 | |||||
| 4-OCH3 | 56.5 | 56.8 | 56.5 | 56.5 | |||||
3 -OCH3 | 56.4 | 56.5 | |||||||
4 -OCH3 | 56.7 | 56.7 | 56.4 | 56.4 |
| 56.4 |
| 56.4 |
|