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. 2013 Jul 29;18(8):8994–9009. doi: 10.3390/molecules18088994

Table 3.

13C-NMR (150 MHz), 1H-NMR (600 MHz) and HMBC spectral data of hexahydromecambrine A (4) in CDCl3 (δ in ppm, J in Hz).

Position 13C (δ, CDCl3) Type 1H (J, Hz) HMBC (2J, 3J)
1 148.1 Cq - -
1a 129.0 Cq - -
1b 131.0 Cq - -
2 140.8 Cq - -
3 105.9 CH 6.46 (s) C1, C2,C4
3a 124.0 Cq - -
4 27.3 CH2 2.93 (m) ax C5
2.71 (m) eq C3a
5 54.9 CH2 3.11 (m) ax C3a, C6a
2.46 (m) eq
6a 65.7 CH 3.26 (m) -
7 44.3 CH2 2.44 (m) ax C1a
1.58 (m) eq C12, C9
7a 46.6 Cq - -
8 30.2 CH2 2.03 (m) ax C7a, C10
1.54 (m) eq C12, C7a, C10
9 31.7 CH2 2.41 (m) ax
1.46 (m) eq C8, C7a, C10
10 67.1 CH 4.00 br, m
11 31.0 CH2 1.75 (m) C12, C7a, C10
12 29.7 CH2 1.25 (m)
N-CH3 43.2 CH3 2.39 (s) C5, C6a
(OCH2O) 100.5 CH2 5.90 (d, J = 1.2) C1, C2
5.86 (d, J = 1.2) C1, C2