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SOH-915 / 17:0-2OH / 2-Hydroxyheptadecanoic acid ME

Names: Methyl 2-hydroxyheptadecanoate;  2-Hydroxyheptadecanoic acid methyl ester

Formula: C18H36O3

Molar mass: 300.481 Da

Monoisotopic mass: 300.266 Da

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

InChI Key: OGSBNYHFFMLFJI-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on Wax: 21.016
- ECL on 5% phenyl: 18.194
- KI on Wax: 2731
- KI on 5% phenyl: 2147

Non-derivatized:

Name: 2-Hydroxyheptadecanoic acid

Formula: C17H34O3

Molar mass: 286.454 Da

SMILES: CCCCCCCCCCCCCCCC(O)C(O)=O

InChI Key: KUZABABLVHWUGR-UHFFFAOYSA-N

InChI: 1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h16,18H,2-15H2,1H3,(H,19,20)

Lipid Maps code: LMFA01050052



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.