Table 2. 1H-NMR (500 MHz) and 13C-NMR (125 MHz), in MeOD-d4, of Deoxyrhapontigenin-3-O-β-d-glucuronide (5).
|
1H-NMR (δ ppm, J Hz) |
13C-NMR (δ ppm) |
|||
|---|---|---|---|---|
| atom # | (500 MHz) | lit.a | (125 MHz) | lit.a |
| 1 | 141.2 | 141.1 | ||
| 2 | 6.78, br. t | 6.78, br.t | 107.5 | 107.2 |
| 3 | 160.5 | 159.2 | ||
| 4 | 6.50, t, J = 2.1 | 6.45, t, J = 1.9 | 104.4 | 104.1 |
| 5 | 159.9 | 159.8 | ||
| 6 | 6.64, br. t | 6.65, br.t | 108.4 | 108.7 |
| 7 | 6.92, d, J = 16.3 | 6.89, d, J = 16.5 | 127.4 | 127.4 |
| 8 | 7.02, d, J = 16.3 | 7.04, d, J = 16.5 | 129.6 | 129.6 |
| 1′ | 131.4 | b | ||
| 2′ | 7.45, d, J = 8.8 | 7.45, d, J = 8.5 | 128.8 | 130.8 |
| 3′ | 6.91, d, J = 8.9 | 6.89, d, J = 8.5 | 115.1 | 128.4 |
| 4′ | 160.9 | 114.9 | ||
| 5′ | 6.91, d, J = 8.9 | 6.89, d, J = 8.5 | 115.1 | 160.5 |
| 6′ | 7.45, d, J = 8.8 | 7.45, d, J = 8.5 | 128.8 | 114.9 |
| OCH3 | 3.80, s | 3.80, s | 55.7 | 128.4 |
| 1″ | 4.92c | 4.96, d, J = 7.2 | 102.6 | 55.6 |
| 2″ | 3.53–3.47, m | 3.50, m | 74.7d | 102.5 |
| 3″ | 3.53–3.47, m | 3.51, t, d, J = 9.1 | 77.7d | 76.9 |
| 4″ | 3.57, m | 3.79, m | 73.4 | 74.4 |
| 5″ | 3.83, d, J = 9.6 | 4.00, d, d, J = 9.5 | 76.6 | 72.5 |
| 6″ | 167.4 | 76.5 | ||
| OH | 8.31, s | |||
Ref (52).
The 13C-NMR for H1′ was not furnished by the authors, potentially leading to misplaced assignments.
The signal for the anomeric hydrogen (H1″) was partially superimposed on the solvent signal.
These signals may be inverted due to the uncertainty of assignment.
