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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
- ECL on Wax: 19.532
- ECL on 5% phenyl: 19.634
- KI on Wax: 2578
- KI on 5% phenyl: 2292
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
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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. |