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Saturday 5 July 2014

COSY and HETCOR spectra of Caryophyllene oxide

COSY and HETCOR spectra
of

Caryophyllene oxide
COSY spectrum of caryophyllene oxide
 Expanded view of COSY spectrum of caryophyllene oxide
       
chemical shift (ppm)
indicated protons
correlations
4.99
olefinic
coupled to each other
4.81
olefinic
2.86
methine
coupled to 2 resonances at 1.28 and 2.23 ppm
2.60
allylic methine
coupled to 3 resonances (methine 1.76 ppm and methylene 1.43, 1.47 ppm)
2.37, 2.11
methylene
coupled to 2 resonances at 2.23 and 1.28 ppm
2.23, 1.28
methylene
coupled to protons at 2.11, 2.37 and 2.86 ppm
2.06, 0.95
methylene
coupled to 2 resonances at 1.45 and 1.63 ppm
1.76
methine
coupled to proton at 1.45 ppm
1.63, 1.45
methylene
coupled to 2 resonances at 0.95 and 2.06 ppm
1.47, 1.43
methylene
coupled to allylic methine at 2.60 ppm
1.19
methyl
-
1.01
methyl
coupled to each other
0.98
methyl


HETCOR spectrum of caryophyllene oxide
        
13C chemical shift (ppm)
1H chemical shift (ppm)
indicated part of structure
153
-
quarternary C-8
113
4.81, 4.99
methylene C-12
63.6
2.86
methine C-5
59.7
-
quarternary C-4
50.9
1.76
methine C-1
48.7
2.60
methine C-9
39.8
1.43, 1.47
methylene C-10
39.2
0.95, 2.06
methylene C-3
34.0
-
quarternary C-11
30.1
1.28, 2.23
methylene C-6
30.0
not available
methyl C-13
29.9
2.11, 2.37
methylene C-7
27.2
1.45, 1.63
methylene C-2
22.6
not available
methyl C-14 or C-15
16.9
not available
methyl C-14 or C-15

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