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SAN-012 / 21:0 / 21:0 |
Names: Methyl henicosanoate; Methyl heneicosanoate; Henicosanoic acid methyl ester; Heneicosanoic acid methyl ester
Formula: C22H44O2
Molar mass: 340.588 Da
Monoisotopic mass: 340.334 Da
SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key: AJRICDSAJQHDSD-UHFFFAOYSA-N
InChI: 1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 21.000
- ECL on Wax: 21.000
- ECL on DB225: 21.000
- ECL on 5% phenyl: 21.000
- ECL on SLB-IL61: 21.000
- ECL on SLB-IL82: 21.000
- ECL on SLB-IL100: 21.000
- KI on Wax: 2729
- KI on DB225: 2704
- KI on 5% phenyl: 2429
Names: Henicosanoic acid; Heneicosanoic acid
Formula: C21H42O2
Molar mass: 326.562 Da
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)=O
InChI Key: CKDDRHZIAZRDBW-UHFFFAOYSA-N
InChI: 1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
ChEBI code: CHEBI:39248
Lipid Maps code: LMFA01010021
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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. |