1H-NMR chemical shifts and assignments forB1071 (2) and its metabolites
| Hydrogens Bound to Carbon No.2-a | 2 | 3 | 6 | 7 |
|---|---|---|---|---|
| 1 | 6.72 (d, J = 7.6) | 6.73 (d, J = 7.6) | — | 6.87 (d, J = 7.6) |
| 3 | 6.64 (s) | 6.63 (s) | 6.61 (s) | 6.85 (s) |
| 6 | 7.06 (d, J = 7.6) | 7.07 (d, J = 7.6) | 6.60 (s) | 7.15 (d, J = 7.6) |
| 7 | 2.29 (s) | 2.29 (s) | 2.18 (s) | 4.60 (s) |
| 8 | 3.26 (m, J = 7.2) | 3.27 (m, J = 6.8) | 3.23 (m, J = 6.8) | 3.27 (m, J = 6.8) |
| 9, 10 | 1.17 (d, J = 7.2) | 1.17 (d, J = 6.8) | 1.15 (d, J = 6.8) | 1.17 (d, J = 6.8) |
| 11 | 4.08 (t, J = 6.0) | 4.08 (t, J = 5.6) | 4.02 (t, J = 6.0) | 4.09 (t, J = 5.8) |
| 12 | 2.80 (t, J = 6.0) | 2.83 (t, J = 5.6) | 2.76 (m) | 2.78 (t, J = 5.8) |
| 13, 16 | 2.89 (m) | 2.57 (m) | 2.90 (m) | 2.86 (m) |
| 14, 15 | 2.54 (m) | 3.45, 3.61 (2m) | 2.55 (m) | 2.53 (m) |
| CH3(Ac) | — | 2.07 (s) | — | — |
Chemical shifts in ppm and coupling constants (J) in Hz (CDCl3, 250.13 MHz).
↵2-a Numbering of carbon atoms as indicated in1.