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SAB-076 / i-18:0 / 16-Methylheptadecanoic acid ME |
Names: Methyl 16-methylheptadecanoate; 16-Methylheptadecanoic acid methyl ester; Isooctadecanoic acid methyl ester; Methyl isooctadecanoate; Methyl isostearate; 2-Methylheptadecanoic acid methyl ester
Formula: C19H38O2
Molar mass: 298.508 Da
Monoisotopic mass: 298.287 Da
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OC
InChI Key: KDQIFKKWPMBNOH-UHFFFAOYSA-N
InChI: 1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 17.478
- ECL on Wax: 17.496
- ECL on 5% phenyl: 17.632
- ECL on SLB-IL61: 17.529
- ECL on SLB-IL82: 17.541
- ECL on SLB-IL100: 17.557
- KI on Wax: 2369
- KI on 5% phenyl: 2090
Names: 16-Methylheptadecanoic acid; Isooctadecanoic acid; 2-Methylheptadecanoic acid
Formula: C18H36O2
Molar mass: 284.481 Da
SMILES: CC(C)CCCCCCCCCCCCCCC(O)=O
InChI Key: XDOFQFKRPWOURC-UHFFFAOYSA-N
InChI: 1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
Lipid Maps code: LMFA01020014
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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. |