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SAB-070 / Pristanic acid ME / 2,6,10,14-Tetramethylpentadecanoic acid ME

Names: Methyl 2,6,10,14-tetramethylpentadecanoate;  2,6,10,14-Tetramethylpentadecanoic acid methyl ester;  Methyl pristanate;  Pristanic acid methyl ester

Formula: C20H40O2

Molar mass: 312.535 Da

Monoisotopic mass: 312.303 Da

SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)OC

InChI Key: LCWYDFQCGCPILG-UHFFFAOYSA-N

InChI: 1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h16-19H,7-15H2,1-6H3

Typical retention indexes:
- ECL on BPX70: 15.554
- ECL on BP20: 15.789
- ECL on SLB-IL61: 15.986
- ECL on SLB-IL82: 15.679
- ECL on SLB-IL100: 15.506

Non-derivatized:

Names: 2,6,10,14-Tetramethylpentadecanoic acid;  Pristanic acid

Formula: C19H38O2

Molar mass: 298.508 Da

SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O

InChI Key: PAHGJZDQXIOYTH-UHFFFAOYSA-N

InChI: 1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)

Lipid Maps code: LMFA01020250



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.