www.chrombox.org

POU-619 / D1f / mono-trans 4,7,10,13,16,19-22:6

Formula: C23H34O2

Molar mass: 342.520 Da

Monoisotopic mass: 342.256 Da

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

InChI Key: VCDLWFYODNTQOT-UHFFFAOYSA-N

InChI: 1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3

Typical retention indexes:
- ECL on SLB-IL100: 26.314

Additional information:
4,7,10,13,16,19-Docosahexaenoic acid methyl ester with one trans double bond. For further details see:

Non-derivatized:

Formula: C22H32O2

Molar mass: 328.494 Da

SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O

InChI Key: MBMBGCFOFBJSGT-UHFFFAOYSA-N

InChI: 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)



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.