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SAB-913 / ai-21:0 / 18-Methyleicosanoic acid ME |
Names: Methyl 18-methylicosanoate; 18-Methylicosanoic acid methyl ester; Methyl 18-methyleicosanoate; 18-Methyleicosanoic acid methyl ester; 18-Methylarachidic acid methyl ester
Formula: C22H44O2
Molar mass: 340.588 Da
Monoisotopic mass: 340.334 Da
SMILES: CCC(C)CCCCCCCCCCCCCCCCC(=O)OC
InChI Key: IOOSSZGDUSBSRF-UHFFFAOYSA-N
InChI: 1S/C22H44O2/c1-4-21(2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 20.728
- ECL on Wax: 20.689
- ECL on 5% phenyl: 20.725
- KI on Wax: 2697
- KI on 5% phenyl: 2402
Names: 18-Methylicosanoic acid; 18-Methyleicosanoic acid; 18-Methylarachidic acid
Formula: C21H42O2
Molar mass: 326.562 Da
SMILES: CCC(C)CCCCCCCCCCCCCCCCC(O)=O
InChI Key: WSRCOZWDQPJAQT-UHFFFAOYSA-N
InChI: 1S/C21H42O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
Lipid Maps code: LMFA01020018
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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. |