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. 2014 Dec 4;12(12):5856–5863. doi: 10.3390/md12125856

Table 1.

1H and 13C NMR data, 1H–1H correlation spectroscopy (COSY) and HMBC correlations for sesquiterpenoid 1.

Position δH (J in Hz) δC, Multiple 1H-1H COSY HMBC
1 41.9, C
2 1.58 m 46.0, CH H2-3, H-5 C-1, -6, -10, -13
1.56 m 37.2, CH2 H-2, H-3β C-1, -2
β 1.35 m H-2, H-3α C-2, -4, -14, -15
4 33.5, C
5 1.55 m 48.9, CH H-2, H2-6 C-2, -14
6a 1.32 m 25.8, CH2 H-5, H-6b, H2-7 C-2, -4, -7
b 1.64 m H-5, H-6a, H2-7 C -2, -4, -5, -7, -8
7a 1.61 m 34.2, CH2 H2-6, H-7b C-5, -6, -8, -9, -12
b 1.78 dd (12.8, 5.6) H2-6, H-7a C-5, -8
8 52.6, C
9a 1.68 m 29.4, CH2 H-9b, H2-10 C-7, -8, -10, -11
b 2.14 dd (9.6, 7.6) H-9a, H2-10 C-1, -8, -10, -11, -12
10a 1.44 m 45.4, CH2 H2-9, H-10b n.o. a
b 1.68 m H2-9, H-10a C-8, -9, -11
11α 1.59 d (12.8) 48.9, CH2 H-11β C-1, -2, -7, -8, -9, -10, -12
β 1.94 dd (12.8, 2.4) H-11α C-9, -10
12 184.2, C
13 0.93 s 22.0, CH3 C-1, -2, -10, -11
14 0.98 s 20.3, CH3 C-3, -4, -5, -15
15 0.98 s 30.5, CH3 C-3, -4, -5, -14

a n.o. = not observed.