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SAN-016 / 25:0 / 25:0 |
Names: Methyl pentacosanoate; Pentacosanoic acid methyl ester
Formula: C26H52O2
Molar mass: 396.696 Da
Monoisotopic mass: 396.397 Da
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key: WOPKHAQDUMDJIY-UHFFFAOYSA-N
InChI: 1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 25.000
- ECL on Wax: 25.000
- ECL on DB225: 25.000
- ECL on 5% phenyl: 25.000
- ECL on SLB-IL82: 25.000
- ECL on SLB-IL100: 25.000
- KI on 5% phenyl: 2832
Name: Pentacosanoic acid
Formula: C25H50O2
Molar mass: 382.669 Da
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
InChI Key: MWMPEAHGUXCSMY-UHFFFAOYSA-N
InChI: 1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
ChEBI code: CHEBI:39420
Lipid Maps code: LMFA01010025
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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. |