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SOH-742 / 22:0-2OH / 2-Hydroxydocosanoic acid ME |
Names: Methyl 2-hydroxydocosanoate; Methyl 2-hydroxybehenate; 2-Hydroxydocosanoic acid methyl ester
Formula: C23H46O3
Molar mass: 370.615 Da
Monoisotopic mass: 370.345 Da
SMILES: CCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O
InChI Key: KUHHQOLYDNMSJW-UHFFFAOYSA-N
InChI: 1S/C23H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26-2/h22,24H,3-21H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 26.566
- ECL on Wax: 26.154
- ECL on DB225: 25.092
- ECL on 5% phenyl: 23.282
- KI on 5% phenyl: 2659
Names: 2-Hydroxydocosanoic acid; 2-hydroxybehenic acid
Formula: C22H44O3
Molar mass: 356.588 Da
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O
InChI Key: RPGJJWLCCOPDAZ-UHFFFAOYSA-N
InChI: 1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
Lipid Maps code: LMFA01050077
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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. |