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SAB-909 / ai-27:0 / 24-Methylhexacosanoic acid ME |
Names: Methyl 24-methylhexacosanoate; 24-Methylhexacosanoic acid methyl ester
Formula: C28H56O2
Molar mass: 424.749 Da
Monoisotopic mass: 424.428 Da
SMILES: CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key: ZLOIUNGSVFOVCI-UHFFFAOYSA-N
InChI: 1S/C28H56O2/c1-4-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28(29)30-3/h27H,4-26H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 26.766
- ECL on Wax: 26.709
- ECL on 5% phenyl: 26.745
Name: 24-Methylhexacosanoic acid
Formula: C27H54O2
Molar mass: 410.722 Da
SMILES: CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(O)=O
InChI Key: QKVYEHVFHQOMSA-UHFFFAOYSA-N
InChI: 1S/C27H54O2/c1-3-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h26H,3-25H2,1-2H3,(H,28,29)
Lipid Maps code: LMFA01020025
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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. |