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. 2013 Jun 17;11(6):2154–2167. doi: 10.3390/md11062154

Table 2.

1H (400 MHz, CDCl3) and 13C (100 MHz, CDCl3) NMR data and 1H–1H COSY and HMBC correlations for cembrane 2.

Position δH (J in Hz) δC, Multiple 1H–1H COSY HMBC
1 2.85 m 35.4, CH H2-2, H2-14 n.o. a
2/2′ 1.49 m; 1.32 m 28.2, CH2 H-1, H2-3 C-1, -3, -4, -14, -15
3/3′ 1.79 ddd (13.6, 11,2, 5.6); 1.64 m 37.2, CH2 H2-2 C-1, -2, -4, -5, -18
4 78.9, C
5 213.8, C
6/6′ 2.76 ddd (18.0, 8.0, 3.2); 2.65 ddd (18.0, 10.2, 3.2) 35.1, CH2 H2-7 C-5, -7, -8
7/7′ 2.48 m; 2.33 m 31.8, CH2 H2-6 C-5, -6, -8, -9
8 134.8, C
9 5.15 dd (5.6, 5.6) 126.1, CH H2-10, H3-19 C-7, -10, -19
10 2.18 m 23.1, CH2 H-9, H2-11 C-8, -9, -11, -12
11/11′ 1.87 dd (8.4, 2,8); 1.69 m 36.7, CH2 H2-10 C-9, -12, -13
12 73.9, C
13 4.29 dd (9.2, 6.0) 79.1, CH H2-14 C-1, -14, -20
14 1.91 m 26.2, CH2 H-1, H-13 C-12, -13, -15
15 138.0, C
16 165.5, C
17a/b 6.43 d (1.2); 5.56 dd (1.2, 1.2) 128.4, CH2 C-1, -15, -16
18 1.35 s 25.2, CH3 C-3, -4, -5
19 1.66 s 17.2, CH3 H-9 C-7, -8, -9
20 1.31 s 24.1, CH3 C-11, -12, -13
OH-4 3.24 br s C-5

a n.o. = not observed.