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