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SAB-871 / i-21:0 / 19-Methyleicosanoic acid ME

Names: Methyl 19-methylicosanoate;  19-Methylicosanoic acid methyl ester;  Methyl 19-methyleicosanoate;  19-Methyleicosanoic acid methyl ester;  Methyl 19-methylarachidate;  19-Methylarachidic acid methyl ester

Formula: C22H44O2

Molar mass: 340.588 Da

Monoisotopic mass: 340.334 Da

SMILES: CC(C)CCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: CMVPFMWIPGEIMP-UHFFFAOYSA-N

InChI: 1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 20.514
- ECL on Wax: 20.517
- ECL on 5% phenyl: 20.629
- KI on Wax: 2680
- KI on 5% phenyl: 2392

Non-derivatized:

Names: 19-Methylicosanoic acid;  19-Methyleicosanoic acid;  19-Methylarachidic acid

Formula: C21H42O2

Molar mass: 326.562 Da

SMILES: CC(C)CCCCCCCCCCCCCCCCCC(O)=O

InChI Key: BDGYZTCVQAZQFG-UHFFFAOYSA-N

InChI: 1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)

Lipid Maps code: LMFA01020223



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.