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MOU-422 / 22:1 n-5 / c17-22:1

Names: Methyl (Z)-docos-17-enoate;  (Z)-Docos-17-enoic acid methyl ester;  (Z)-17-Docosenoic acid methyl ester;  17Z-Docosenoic acid methyl ester;  cis-17-Docosenoic acid methyl ester

Formula: C23H44O2

Molar mass: 352.599 Da

Monoisotopic mass: 352.334 Da

SMILES: CCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC

InChI Key: KMIDOUSVXCVKSA-SREVYHEPSA-N

InChI: 1S/C23H44O2/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/h6-7H,3-5,8-22H2,1-2H3/b7-6-

Typical retention indexes:
- ECL on BPX70: 22.619

Non-derivatized:

Names: (Z)-Docos-17-enoic acid;  (Z)-17-Docosenoic acid;  17Z-Docosenoic acid;  cis-17-Docosenoic acid

Formula: C22H42O2

Molar mass: 338.573 Da

SMILES: CCCC\C=C/CCCCCCCCCCCCCCCC(O)=O

InChI Key: UBKDYQFHAWUXEQ-WAYWQWQTSA-N

InChI: 1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h5-6H,2-4,7-21H2,1H3,(H,23,24)/b6-5-



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.