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SAB-856 / i-25:0 / 23-methyltetracosanoic acid ME |
Names: Methyl 23-Methyltetracosanoate; 23-Methyltetracosanoic acid methyl ester; Isopentacosanoic acid methyl ester
Formula: C26H52O2
Molar mass: 396.696 Da
Monoisotopic mass: 396.397 Da
SMILES: CC(C)CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key: WVAFMSDRCCODTO-UHFFFAOYSA-N
InChI: 1S/C26H52O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28-3/h25H,4-24H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 24.526
- ECL on Wax: 24.517
- ECL on 5% phenyl: 24.628
- KI on 5% phenyl: 2795
Names: 23-Methyltetracosanoic acid; Isopentacosanoic acid
Formula: C25H50O2
Molar mass: 382.669 Da
SMILES: CC(C)CCCCCCCCCCCCCCCCCCCCCC(O)=O
InChI Key: MLLNAEIUHLSUPB-UHFFFAOYSA-N
InChI: 1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
Lipid Maps code: LMFA01020023
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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. |