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SAN-013 / 22:0 / 22:0

Names: Methyl docosanoate;  Docosanoic acid methyl ester;  Behenic acid methyl ester;  Methyl behenate

Formula: C23H46O2

Molar mass: 354.615 Da

Monoisotopic mass: 354.350 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: QSQLTHHMFHEFIY-UHFFFAOYSA-N

InChI: 1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 22.000
- ECL on BP20: 22.000
- ECL on DB225: 22.000
- ECL on SLB-IL61: 22.000
- ECL on SLB-IL82: 22.000
- ECL on SLB-IL100: 22.000

Non-derivatized:

Names: Docosanoic acid;  Behenic acid

Formula: C22H44O2

Molar mass: 340.588 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Key: UKMSUNONTOPOIO-UHFFFAOYSA-N

InChI: 1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

ChEBI code: CHEBI:28941

Lipid Maps code: LMFA01010022



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.