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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 Wax: 22.194
- ECL on DB225: 22.190
- ECL on 5% phenyl: 21.738
- ECL on Rxi-1: 21.694
- ECL on SLB-IL61: 22.179
- ECL on SLB-IL82: 22.504
- ECL on SLB-IL100: 22.610
- KI on Wax: 2852
- KI on DB225: 2828
- KI on 5% phenyl: 2504
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
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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. |