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POU-115 / E2a (EPA-8) / di-trans 5,8,11,14,17-20:5

Formula: C21H32O2

Molar mass: 316.483 Da

Monoisotopic mass: 316.240 Da

SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC

InChI Key: QWDCYFDDFPWISL-UHFFFAOYSA-N

InChI: 1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 22.187

Additional information:
5,8,11,14,17-Eicosapentaenoic acid methyl ester with two trans double bonds.

Non-derivatized:

Formula: C20H30O2

Molar mass: 302.456 Da

SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(O)=O

InChI Key: JAZBEHYOTPTENJ-UHFFFAOYSA-N

InChI: 1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)



Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen.
Molecular structures are created in Open Babel.