Table 1.
1H-NMR (400 MHz), 13C-NMR (100 MHz), HMQC and HMBC data of methyl 4-O-β-D-glucopyranosy-5-hydroxy-3- methoxylbenzoate (DMSO-d6, δ ppm).
| No. | δC | δH | HMBC (H→C) | No. | δC | δH | HMBC (H→C) |
|---|---|---|---|---|---|---|---|
| aglycone | glc | ||||||
| 1 | 125.0 | 1ʹ | 104.5 | 4.83 (d, 1H, J = 6.0 Hz) | 138.8 | ||
| 2 | 102.9 | 6.92 (s, 1H) | 111.8, 138.8, 166.2 | 2ʹ | 74.0 | 3.27 (m, 1H) | |
| 3 | 153.0 | 3ʹ | 76.5 | 3.22 (m, 1H) | |||
| 4 | 138.8 | 4ʹ | 69.6 | 3.20 (m, 1H) | |||
| 5 | 152.6 | 5ʹ | 77.3 | 3.13 (m, 1H) | |||
| 6 | 111.8 | 7.03 (s, 1H) | 102.9, 138.8, 166.2 | 6ʹ | 60.7 | 3.49 (m, 1H), 3.62 (d-like, 1H, J = 10.4 Hz) | |
| 7 | 166.2 | ||||||
| 3-OCH3 | 56.2 | 3.77 | 153.0 | ||||
| 7-OCH3 | 51.9 | 3.79 | 166.2 | ||||
All assignments based on extensive 1D and 2D NMR experiments (HMQC, HMBC, 1H-1H COSY).