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SAB-908 / i-28:0 / 26-Methylheptacosanoic acid ME

Names: Methyl 26-methylheptacosanoate;  26-methylheptacosanoic acid methyl ester

Formula: C29H58O2

Molar mass: 438.776 Da

Monoisotopic mass: 438.444 Da

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

InChI Key: FATDWFRCYRTGLJ-UHFFFAOYSA-N

InChI: 1S/C29H58O2/c1-28(2)26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29(30)31-3/h28H,4-27H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 27.523
- ECL on Wax: 27.513
- ECL on 5% phenyl: 27.627

Non-derivatized:

Names: Isomontanic acid methyl ester;  26-Methylheptacosanoic acid;  Isomontanic acid

Formula: C28H56O2

Molar mass: 424.749 Da

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

InChI Key: GCUBDUZUXAQLEY-UHFFFAOYSA-N

InChI: 1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)

Lipid Maps code: LMFA01020026



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.