TABLE 1

Proton and carbon NMR chemical shift assignments for daphnetin and its metabolites

PositionDaphnetinM-1M-2
Δ 1H Mult (J in Hz)δ 13Cδ 1H Mult (J in Hz)Δ 13Cδ 1H Mult (J in Hz)δ 13C
2160.4160.0159.9
36.19 t (9.6)111.27.09 d (8.4)112.06.85 d (8.4)113.6
47.90 d (9.0)143.77.95 d (9.6)142.87.93 d (9.6)144.7
57.01 d (8.4)118.87.13 d (9.0)118.27.30 d (8.4)124.3
66.80 t (7.8)112.56.32 d (9.6)114.56.22 d (9.6)111.4
79.33 brs149.7147.8154.0
810.01 brs132.1134.1130.9
9145.1144.6147.8
10112.1113.5113.7
1′5.04 d (7.8)101.25.02 d (7.2)103.8
2′3.38 (1H, m)72.93.42 (1H, m)73.4
3′3.34 (1H, m)75.23.28 (1H, m)75.7
4′3.41 (1H, m)71.43.48 (1H, m)71.6
5′3.90 (1H, d, J = 9.6 Hz)75.33.61 (1H, d, J = 9.0 Hz)76.2
6′170.1170.4
  • brs, broad singlet; d, doublet; t, triple; m, multiplet.