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. 2010 Feb 23;8(2):359–372. doi: 10.3390/md8020359

Table 1.

1H and 13C-NMR dataa of compound 2 in CDCl3

Atom n° 1H NMR 13C NMRc COSY HMBC
1 39.8 Cq
2 2,20 m 52.7 CH 3
3 1,56 m 33.4 CH2 2, 4
4 2,02 m 41.5 CH 3
5 1,60–1,57 mb 27.2 CH2
6 1,50–1,45 mb 39.7 CH2
7 1.08 s 16.6 CH3 8
8 5.82 dd (11.0, 18.0) 150.0 CH 9a, 9b 7
9a 4.91 d (18.0) 110.0 CH2 8 1, 8
9b 4.90 d (11.0) 8 1, 8
10 147.4 Cq
11a 4.82 br s 112.3 CH2 2, 12
11b 4.58 br s 2, 12
12 1.70 s 24.8 CH3 11a, 11b 10, 11
13 136.8 Cq
14 168.7 Cq
15 6.33 d (14.0) 134.3 CH 16 4, 14, 17
16 6.97 dd (14.0, 15.0) 123.6 CH 15, 17
17 6.05 d (15.0) 146.7 CH 16 15, 18, 19/20
18 71.0 Cq
19 1.36 s 29.6 CH3 17, 18
20 1.36 s 29.6 CH3 17, 18
21 3.79 s 51.6 CH3 14
a

1H NMR, 400 MHz; 13C NMR, 100 MHz; chemical shifts are given in δ values relative to CHCl3 as internal standard and coupling constants in Hz are in parentheses.

b

These protons appears as very broad multiplets in the proton spectrum. H2-5 and H2-6 data may be interchanged.

c

Carbon atom multiplicity was deduced by DEPT.