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SAB-823 / Bra-19:0 (11Me) / 11-Methyloctadecanoic acid ME

Names: Methyl 11-methyloctadecanoate;  11-methyloctadecanoic acid methyl ester;  11-methylstearic acid methyl ester

Formula: C20H40O2

Molar mass: 312.535 Da

Monoisotopic mass: 312.303 Da

SMILES: CCCCCCCC(C)CCCCCCCCCC(=O)OC

InChI Key: OHEUQJSREGQWEP-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 18.279
- ECL on Wax: 18.326
- ECL on 5% phenyl: 18.418
- KI on Wax: 2454
- KI on 5% phenyl: 2169

Non-derivatized:

Names: 11-methyloctadecanoic acid;  11-methylstearic acid

Formula: C19H38O2

Molar mass: 298.508 Da

SMILES: CCCCCCCC(C)CCCCCCCCCC(O)=O

InChI Key: XBRZUTLRIVYERP-UHFFFAOYSA-N

InChI: 1S/C19H38O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

Lipid Maps code: LMFA01020210



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.