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SOH-733 / 18:0-3OH / 3-Hydroxyoctadecanoic acid ME

Names: Methyl 3-hydroxystearate;  3-Hydroxyoctadecanoic acid methyl ester;  3-Hydroxystearic acid methyl ester

Formula: C19H38O3

Molar mass: 314.507 Da

Monoisotopic mass: 314.282 Da

SMILES: CCCCCCCCCCCCCCCC(CC(=O)OC)O

InChI Key: XIGHAQIRKIFLFB-UHFFFAOYSA-N

InChI: 1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h18,20H,3-17H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 23.666
- ECL on BP20: 22.796

Non-derivatized:

Name: 3-Hydroxyoctadecanoic acid

Formula: C18H36O3

Molar mass: 300.481 Da

SMILES: CCCCCCCCCCCCCCCC(O)CC(O)=O

InChI Key: POMQYTSPMKEQNB-UHFFFAOYSA-N

InChI: 1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)

Lipid Maps code: LMFA01050055



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.