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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 BP20: 26.154
- ECL on DB225: 25.092

Non-derivatized:

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



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.