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SAB-904 / ai-24:0 / 21-Methyltricosanoic acid ME

Names: Methyl 21-methyltricosanoate;  21-Methyltricosanoic acid methyl ester

Formula: C25H50O2

Molar mass: 382.669 Da

Monoisotopic mass: 382.381 Da

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

InChI Key: DLXZGONZUACRIV-UHFFFAOYSA-N

InChI: 1S/C25H50O2/c1-4-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(26)27-3/h24H,4-23H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 23.733
- ECL on Wax: 23.688
- ECL on 5% phenyl: 23.725
- KI on 5% phenyl: 2704

Non-derivatized:

Name: 21-Methyltricosanoic acid

Formula: C24H48O2

Molar mass: 368.642 Da

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

InChI Key: ZFMBTKXCQZOFGH-UHFFFAOYSA-N

InChI: 1S/C24H48O2/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)

Lipid Maps code: LMFA01020232



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.