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SAN-019 / 28:0 / 28:0

Names: Methyl octacosanoate;  Octacosanoic acid methyl ester;  Montanic acid methyl ester;  Methyl montanate

Formula: C29H58O2

Molar mass: 438.776 Da

Monoisotopic mass: 438.444 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: ZKHOYAKAFALNQD-UHFFFAOYSA-N

InChI: 1S/C29H58O2/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)31-2/h3-28H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 28.000
- ECL on BP20: 28.000
- ECL on SLB-IL82: 28.000
- ECL on SLB-IL100: 28.000

Non-derivatized:

Names: Octacosanoic acid;  Montanic acid

Formula: C28H56O2

Molar mass: 424.749 Da

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Key: UTOPWMOLSKOLTQ-UHFFFAOYSA-N

InChI: 1S/C28H56O2/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)30/h2-27H2,1H3,(H,29,30)

ChEBI code: CHEBI:31001

Lipid Maps code: LMFA01010028



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.