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SAN-018 / 27:0 / 27:0

Names: Methyl Heptacosanoate;  Heptacosanoic acid methyl ester;  Carboceric acid methyl ester

Formula: C28H56O2

Molar mass: 424.749 Da

Monoisotopic mass: 424.428 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: SCVPLVIKFSVDDH-UHFFFAOYSA-N

InChI: 1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30-2/h3-27H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 27.000
- ECL on BP20: 27.000
- ECL on SLB-IL82: 27.000
- ECL on SLB-IL100: 27.000

Non-derivatized:

Names: Heptacosanoic acid;  Carboceric acid

Formula: C27H54O2

Molar mass: 410.722 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Key: VXZBFBRLRNDJCS-UHFFFAOYSA-N

InChI: 1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)

Lipid Maps code: LMFA01010027



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.