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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 Wax: 27.000
- ECL on 5% phenyl: 27.000
- ECL on SLB-IL82: 27.000
- ECL on SLB-IL100: 27.000
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
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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. |