|
|
MOU-262 / 22:1 n-11 / c11-22:1 |
Names: Methyl (Z)-docos-11-enoate; (Z)-Docos-11-enoic acid methyl ester; (Z)-11-Docosenoic acid methyl ester; 11Z-Docosenoic acid methyl ester; cis-11-Docosenoic acid methyl ester; Cetoleic acid methyl ester
Formula: C23H44O2
Molar mass: 352.599 Da
Monoisotopic mass: 352.334 Da
SMILES: CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC
InChI Key: QIZZORAOGOPHQF-SEYXRHQNSA-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/h12-13H,3-11,14-22H2,1-2H3/b13-12-
Typical retention indexes:
- ECL on BPX70: 22.325
- ECL on Wax: 22.134
- ECL on 5% phenyl: 21.697
- ECL on Rxi-1: 21.652
- ECL on SLB-IL61: 22.107
- ECL on SLB-IL82: 22.426
- ECL on SLB-IL100: 22.526
- KI on Wax: 2846
- KI on 5% phenyl: 2500
Names: (Z)-Docos-11-enoic acid; (Z)-11-Docosenoic acid; 11Z-Docosenoic acid; cis-11-Docosenoic acid; Cetoleic acid
Formula: C22H42O2
Molar mass: 338.573 Da
SMILES: CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O
InChI Key: KJDZDTDNIULJBE-QXMHVHEDSA-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/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
ChEBI code: CHEBI:32428
Lipid Maps code: LMFA01030088
|
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. |