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SAB-900 / ai-23:0 / 20-Methyldocosanoic acid ME |
Names: Methyl 20-Methyldocosanoate; 20-Methyldocosanoic acid methyl ester; Methyl 20-Methylbehenate
Formula: C24H48O2
Molar mass: 368.642 Da
Monoisotopic mass: 368.365 Da
SMILES: CCC(C)CCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key: KDKAOOWYYQYYGE-UHFFFAOYSA-N
InChI: 1S/C24H48O2/c1-4-23(2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(25)26-3/h23H,4-22H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 22.731
- ECL on Wax: 22.695
- ECL on 5% phenyl: 22.730
- KI on Wax: 2904
- KI on 5% phenyl: 2604
Names: 20-Methylbehenic acid methyl ester; 20-Methyldocosanoic acid; 20-Methylbehenic acid
Formula: C23H46O2
Molar mass: 354.615 Da
SMILES: CCC(C)CCCCCCCCCCCCCCCCCCC(O)=O
InChI Key: MZRXKFZYUOFQRH-UHFFFAOYSA-N
InChI: 1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
Lipid Maps code: LMFA01020020
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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. |