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. 2008 Jul 25;190(18):6084–6096. doi: 10.1128/JB.00759-08

TABLE 1.

13C and 1H NMR one-dimensional spectral data for 8a-epi-α-selinene (structure 1) (CDCl3, 600 MHz)

Atom no. Carbon δC Proton resonance
δH Multiplicity J (Hz)
1ax 29.3 1.60 ddd 13.0, 11.5, 4.4
1eq 29.3 1.78 dddd 13.5, 2.8, 2.8, 2.8
2 40.3 1.71 dddd 11, 11, 3.3, 3.3
3ax 26.9 1.47 dddd 12.7, 12.7, 11.0, 3.8
3eq 26.9 1.52 ddddd 12.9, 4, 4, 4, 2
4ax 31.2 1.61 ddd 12.9, 12.9, 4.3
4eq 31.2 1.08 ddd 13.0, 3.5, 3.5
4a 31.5
5ax 36.1 1.36 ddd 13.2, 10.9, 5.9
5eq 36.1 1.39 ddd 13.1, 6.8, 2.5
6ax 22.6 2.07 br m Σ Js ca. 47
6eq 22.6 1.92 br d Σ Js ca. 34
7 122.7 5.43 br m Σ Js ca. 11
8 135.2
8a 44.4 1.94 br m Σ Js ca. 13
9 150.5
10E/Z 108.1 4.70 dq 2, 1
10Z/E 108.1 4.69 dq 2, 1.5
11 21.3 1.73 dd 1.5, 1
12 27.4 1.00 s
13 22.1 1.66 ddd 2.5, 1.4, 1.4