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MOU-025 / 22:1 n-9 / c13-22:1

Names: Methyl (Z)-docos-13-enoate;  (Z)-Docos-13-enoic acid methyl ester;  (Z)-13-Docosenoic acid methyl ester;  13Z-Docosenoic acid methyl ester;  cis-13-Docosenoic acid methyl ester;  Erucic acid methyl ester;  Methyl erucate

Formula: C23H44O2

Molar mass: 352.599 Da

Monoisotopic mass: 352.334 Da

SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC

InChI Key: ZYNDJIBBPLNPOW-KHPPLWFESA-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/h10-11H,3-9,12-22H2,1-2H3/b11-10-

Typical retention indexes:
- ECL on BPX70: 22.401
- ECL on BP20: 22.194
- ECL on DB225: 22.190
- ECL on SLB-IL61: 22.179
- ECL on SLB-IL82: 22.504
- ECL on SLB-IL100: 22.610

Non-derivatized:

Names: (Z)-Docos-13-enoic acid;  (Z)-13-Docosenoic acid;  13Z-Docosenoic acid;  cis-13-Docosenoic acid;  Erucic acid

Formula: C22H42O2

Molar mass: 338.573 Da

SMILES: CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O

InChI Key: DPUOLQHDNGRHBS-KTKRTIGZSA-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/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

ChEBI code: CHEBI:28792

Lipid Maps code: LMFA01030089



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.