Table 4. NMR Spectroscopic Data (1H at 800 MHz, 13C at 200 MHz, CDCl3) for 3″-Hydroxyisochamanetin (4).
| position | δC, type | δH | J (Hz) | HMBC, H→C |
|---|---|---|---|---|
| 2 | 79.4, C–O | 5.38 | dd, (13.1, 2.8) | C-3, C-4, C-8a, C-1′, C-2′/6′ |
| 3 | 43.3, CH2 | 3.08 | dd, (17.2, 13.1) | C-2, C-4, C-1′ |
| C4, C10, C1′ | ||||
| 2.84 | dd, (17.2, 2.8) | C-4a, C-4, C-1′ | ||
| 4 | 196.3, C=O | |||
| 4a | 103.1, C | |||
| 5 | 160.7, C–O | |||
| OH-5 | 12.89 | s | C-5, C-6, C-4a | |
| 6 | 108.2, C | |||
| 7 | 163.0, C–O | |||
| 8 | 96.3, CH | 6.03 | s | C-4, C-4a, C-6, C-7, C-8a |
| 8a | 161.4, C–O | |||
| 1′ | 138.3, C | |||
| 2′/6′ | 126.3, CH | 7.42a | m | C-2, C-1′, C-2′/6′, C-3′/5′, C-4′ |
| 3′5′ | 129.0, CH | 7.42a | m | C-2, C-1′, C-2′/6′, C-3′/5′, C-4′ |
| 4′ | 129.1, CH | 7.38 | m | C-1′, C-2′/6′, C-3′/5′ |
| 1″ | 126.8, C | |||
| 2″ | 141.2, C–O | |||
| 3″ | 144.3, C–O | |||
| 4″ | 113.2, CH | 6.74a | d (4.8) | C-2″, C-6″ |
| 5″ | 123.1, CH | 7.05 | dd, (4.8, 4.8) | C-1″, C-3″, C-4″, C-6″ |
| 6″ | 121.1, CH | 6.74a | d (4.8) | C-1″, C-2″, C-4″, C-5″, C-7″ |
| 7″ | 22.1, CH2 | 3.87 | AB d (14.5) | C-7, C-6, C-5, C-1″, C-2″, C-6″ |
Overlapping signals.