Skip to main content

Table 3 1D and 2D nuclear magenetic resonance (NMR) data of metabolites M3 and M4. (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 M3 M4
  δC δH HMBC δC δH HMBC
1 169.9 - - 170.8 - -
3 149.7 - - 150.0 - -
3a 152.9 - - 153.4 - -
4 21.2 2.46 (1H, m) C-3a, 5, 6, 7a 17.4 2.46 (1H, m) C-3a, 5, 6, 7a
  2.57 (1H, m) C- 3a, 6, 7a 2.50 (1H, m) C-3a, 5, 7a
5 26.9 1.94 (2H, m) C-3a, 4, 6, 7 24.6 1.95 (2H, m) C- 3a, 4, 6, 7
6 70.3 4.08 (1H, dt, J = 11.2, 3.6 Hz) C-4, 5, 7 70.0 4.17 (1H, m) C-4, 7a
7 45.4 3.86 (1H, d, J = 3.8 Hz) C-1, 3a, 5, 6, 7a, 10′ 43.1 3.59 (1H, s) C-1, 3a, 5, 6, 7a, 10′
7a 127.3 - - 125.7 - -
8 114.5 5.37 (1H, t, J = 7.9 Hz) C-3, 3a, 10 114.2 5.40 (1H, t, J = 7.9 Hz) C-3, 3a, 10
9 29.1 2.29 (2H, dd, J = 15.0, 7.6 Hz) C-3, 8, 10, 11 29.0 2.31 (2H, dd, J = 15.0, 7.5 Hz) C-3, 8, 10, 11
10 23.3 1.48 (2H, dd, J = 14.7, 7.4 Hz) C-8, 9, 11 23.3 1.48 (2H, m) C-8, 9, 11
11 14.1 0.93 (3H, m) C-9, 10 14.1 0.93 (3H, t, J = 7.4 Hz) C-9, 10
1′ 174.2 - - 174.5 - -
2′ 55.8 3.63 (1H, m) C-1′, 3′, 5′ 55.7 3.63 (1H, t, J = 6 Hz) C-1′, 3′, 5′
3′ 33.3 2.60 (2H, m) C-2′, 4′, 5′ 33.2 2.54 (2H, m) C-2′, 4′, 5′
4′ 27.8 2.15 (2H, dt, J = 14.3, 7.3 Hz) C-2′, 3′, 5′ 28.0 2.13 (2H, m) C-2′, 3′, 5′
5′ 175.6 - - 175.4 - -
6′ 55.0 4.67 (1H, m) C-5′, 7′, 10′ 55.0 4.66 (1, m) C-5′, 7′, 10′
7′ 172.3 - - 172.2 - -
8′ 44.6 3.72 (2H, s) C-7′, 9′ 44.7 3.69 (1H, d, J = 17.1 Hz) C-7′, 9′
  3.77 (1H, d, J = 17.1 Hz) C-7′, 9′
9′ 176.1 - - 176.4 - -
10′ 36.7 3.12 (1H, dd, J = 14.2, 7.7 Hz) C-7, 6′, 7′ 35.7 3.00 (1H, dd, J = 13.9, 8.4 Hz) C-7, 6′, 7′
  3.22 (1H, dd, J = 14.1, 5.0 Hz) C-7, 6′, 7′ 3.22 (1H, dd, J = 13.9, 5.3 Hz) C-7, 7′