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

Table 1.

13C-NMR (150 MHz), 1H-NMR (600 MHz) and HMBC spectral data of litsericinone, (2) in CDCl3 (δ in ppm, J in Hz).

Position 13C (δ, CDCl3) Type 1H (J, Hz) HMBC (2J, 3J)
1 148.9 Cq -
1a 141.1 Cq -
1b 123.9 Cq -
2 141.1 Cq -
3 106.9 CH 6.51 s C1, C1a, C2, C4
3a 126.7 Cq -
4 25.1 CH2 2.87 m (ax) C3, C1b, C1a
2.75 m (eq) C3, C1b, C1a
5 43.9 CH2 3.55 m (ax) C4, C6a, C1b
3.16 m (eq) C4, C6a
6a 56.8 CH 4.26 dd C5, C7
(J = 6.9 Hz,
J = 9.8 Hz)
7 44.1 CH2 2.73 m (ax) C3, C3a, C1a
1.87 m (eq) C12, C7a, C6a
7a 46.2 Cq - -
8 38.5 CH2 2.68 m (ax) C10
2.41 m (eq) C9, C7a, C10
9 36.2 CH2 2.50 m (ax) C8, C7a, C10
1.91 m (eq) C11, C7a, C10
10 211.1 C=O - -
11 38.9 CH2 2.46 m (ax) C10
2.45 m (eq) C12, C7a, C10
12 34.3 CH2 2.10 m (ax) C9, C7, C7a, C3a, C10
2.00 m (eq) C9, C7a, C3a, C10
Methylenedioxy
(O-CH2-O)
100.9 CH2 5.89 d (J = 1.3 Hz) C1,C2
5.86 d (J = 1.3 Hz) C1,C2