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SAB-824 / Bra-19:0 (10Me) / 10-Methyloctadecanoic acid ME

Names: Methyl 10-methyloctadecanoate;  10-Methyloctadecanoic acid methyl ester;  10-Methylstearic acid methyl ester;  Methyl Tuberculostearate;  Tuberculostearic acid methyl ester

Formula: C20H40O2

Molar mass: 312.535 Da

Monoisotopic mass: 312.303 Da

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

InChI Key: ATERKICZYCBQCQ-UHFFFAOYSA-N

InChI: 1S/C20H40O2/c1-4-5-6-7-10-13-16-19(2)17-14-11-8-9-12-15-18-20(21)22-3/h19H,4-18H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 18.256
- ECL on Wax: 18.314
- ECL on 5% phenyl: 18.399
- KI on Wax: 2453
- KI on 5% phenyl: 2168

Non-derivatized:

Names: 10-Methyloctadecanoic acid;  Tuberculostearic acid;  10-Methylstearic acid

Formula: C19H38O2

Molar mass: 298.508 Da

SMILES: CCCCCCCCC(C)CCCCCCCCC(O)=O

InChI Key: BEOUGZFCUMNGOU-UHFFFAOYSA-N

InChI: 1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

Lipid Maps code: LMFA01020015



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.