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SAN-017 / 26:0 / 26:0

Names: Methyl hexacosanoate;  Hexacosanoic acid methyl ester;  Cerotic acid methyl ester

Formula: C27H54O2

Molar mass: 410.722 Da

Monoisotopic mass: 410.412 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: VHUJBYYFFWDLNM-UHFFFAOYSA-N

InChI: 1S/C27H54O2/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)29-2/h3-26H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 26.000
- ECL on Wax: 26.000
- ECL on 5% phenyl: 26.000
- ECL on SLB-IL61: 26.000
- ECL on SLB-IL82: 26.000
- ECL on SLB-IL100: 26.000
- KI on 5% phenyl: 2933

Non-derivatized:

Names: Hexacosanoic acid;  Cerotic acid (6CI,7CI)

Formula: C26H52O2

Molar mass: 396.696 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Key: XMHIUKTWLZUKEX-UHFFFAOYSA-N

InChI: 1S/C26H52O2/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)28/h2-25H2,1H3,(H,27,28)

ChEBI code: CHEBI:31009

Lipid Maps code: LMFA01010026



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.