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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
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
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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. |