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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 Wax: 22.000
- ECL on DB225: 22.000
- ECL on 5% phenyl: 22.000
- ECL on Rxi-1: 22.000
- ECL on SLB-IL61: 22.000
- ECL on SLB-IL82: 22.000
- ECL on SLB-IL100: 22.000
- KI on Wax: 2832
- KI on DB225: 2808
- KI on 5% phenyl: 2530
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
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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. |