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Table 2 1D and 2D nuclear magenetic resonance (NMR) data of metabolites M1 and M2. (δ in ppm, MeOH-d4)

From: Preparation and structural determination of four metabolites of senkyunolide I in rats using ultra performance liquid chromatography/quadrupole-time-of-flight tandem mass and nuclear magnetic resonance spectra

Position M1 M2
  δC δH HMBC δC δH HMBC
1 170.8 - - 171.0 - -
3 150.0 - - 150.0 - -
3a 156.0 - - 156.1 - -
4 18.7 2.48 (1H, ddd, J = 18.7, 5.6, 3.4 Hz) C-5, 6, 7a 18.8 2.53 (2H, m) C-3a, 5, 6, 7a
   2.67 (1H, ddd, J = 18.2, 9.5, 5.8 Hz) C-3a, 5, 6, 7a    
5 24.3 2.01 (1H, m) C-3a, 4 26.2 1.90 (1H, m) C-3a, 4, 6, 7
   2.18 (1H, ddd, J = 14.0, 8.9, 5.4 Hz) C-3a, 4, 6, 7   2.01 (1H, dt, J = 13.7, 5.7 Hz) C-3a, 4, 6, 7
6 79.5 4.07 (1H, m) C-4, 7, 7a, 1′ 70.2 4.13 (1H, m) C-4, 5, 7, 7a
7 63.5 4.46 (1H, d, J = 3.3 Hz) C-1, 3a, 5, 6, 7a 74.9 4.44 (1H, d, J = 3.9 Hz) C-1, 3a, 5, 6, 7a, 1′
7a 126.4 - - 125.3 - -
8 114.4 5.45 (1H, t, J = 7.9 Hz) C-3, 3a, 9, 10 115.2 5.48 (1H, t, J = 7.9 Hz) C-3, 3a, 10
9 29.0 2.34 (2H, dd, J = 15.0, 7.6 Hz) C-3, 8, 10, 11 29.1 2.34 (2H, dd, J = 15.0, 7.5 Hz) C-3, 8, 10, 11
10 23.3 1.51 (2H, m) C-8, 9, 11 23.3 1.52 (2H, dt, J = 14.7, 7.3 Hz) C-8, 9, 11
11 14.1 0.96 (3H, t, J = 7.4 Hz) C-9, 10 14.1 0.95 (3H, t, J = 7.4 Hz) C-9, 10
1′ 104.2 4.46 (1H, d, J = 7.8 Hz) C-3′, 5′ 104.7 4.68 (1H, d, J = 7.8 Hz) C-7
2′ 74.8 3.14 (1H, t, J = 8.3 Hz) C-1′, 3′ 75.1 3.20 (1H, t, J = 8.4 Hz) C-1′, 3′
3′ 77.9 3.38 (1H, t, J = 8.9 Hz) C-2′, 4′ 77.8 3.42 (1H, t, J = 6.0 Hz) C-4′
4′ 73.6 3.41 (1H, t, J = 9.1 Hz) C-3′, 6′ 73.6 3.44 (1H, t, J = 5.8 Hz) C-3′, 6′
5′ 76.4 3.57 (1H, d, J = 9.4 Hz) C-1′, 3′, 4′, 6′ 75.8 3.63 (1H, m) C-1′, 3′, 4′, 6′
6′ 176.8 - - 176.8 - -