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SAB-448 / i-20:0 / 18-Methylnonadecanoic acid ME

Names: Methyl 18-methylnonadecanoate;  18-Methylnonadecanoic acid methyl ester;  Isoarachidic acid methyl ester

Formula: C21H42O2

Molar mass: 326.562 Da

Monoisotopic mass: 326.318 Da

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

InChI Key: IVHQIMJNEKWLSS-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 19.471

Non-derivatized:

Names: 18-methylnonadecanoic acid;  Isoarachidic acid

Formula: C20H40O2

Molar mass: 312.535 Da

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

InChI Key: UCDAVJCKGYOYNI-UHFFFAOYSA-N

InChI: 1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)

Lipid Maps code: LMFA01020017



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.