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SOH-917 / ai-19:0-2OH / 2-Hydroxy-16-methyl-octadecanoic acid ME

Names: Methyl 2-hydroxy-16-methyl-octadecanoate;  2-Hydroxy-16-methyl-octadecanoic acid methyl ester

Formula: C20H40O3

Molar mass: 328.534 Da

Monoisotopic mass: 328.298 Da

SMILES: CCC(C)CCCCCCCCCCCCCC(O)C(=O)OC

InChI Key: NCYFZGOECDJNHZ-UHFFFAOYSA-N

InChI: 1S/C20H40O3/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(21)20(22)23-3/h18-19,21H,4-17H2,1-3H3

Typical retention indexes:
- ECL on Wax: 22.738
- ECL on 5% phenyl: 19.944
- KI on Wax: 2909
- KI on 5% phenyl: 2323

Non-derivatized:

Name: 2-Hydroxy-16-methyl-octadecanoic acid

Formula: C19H38O3

Molar mass: 314.507 Da

SMILES: CCC(C)CCCCCCCCCCCCCC(O)C(O)=O

InChI Key: HGAMXEMUHTUJFV-UHFFFAOYSA-N

InChI: 1S/C19H38O3/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(20)19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22)



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.