www.chrombox.org

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

Non-derivatized:

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



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.