all-cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester - CAS 2566-90-7
Catalog: |
BB019000 |
Product Name: |
all-cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester |
CAS: |
2566-90-7 |
Synonyms: |
methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
IUPAC Name: | methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
Description: | A type of biodiesel with industrial applications. Used as a reagent in cholesterol photooxidation. |
Molecular Weight: | 342.51 |
Molecular Formula: | C23H34O2 |
Canonical SMILES: | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC |
InChI: | InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19- |
InChI Key: | VCDLWFYODNTQOT-JDPCYWKWSA-N |
Boiling Point: | 429.9 °C at 760 mmHg |
Density: | 0.917 g/cm3 |
LogP: | 6.63730 |
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PMID | Publication Date | Title | Journal |
20110888 | 20100111 | Inhibition of oxidation of aqueous emulsions of omega-3 fatty acids and fish oil by phloretin and phloridzin | Molecules (Basel, Switzerland) |
17207667 | 20070201 | Formation of high-molecular-weight protein adducts by methyl docosahexaenoate peroxidation products | Biochimica et biophysica acta |
16236287 | 20051230 | Properties of trans isomers of eicosapentaenoic acid and docosahexaenoic acid methyl esters on cyanopropyl stationary phases | Journal of chromatography. A |
12033831 | 20020605 | Effects of riboflavin and fatty acid methyl esters on cholesterol oxidation during illumination | Journal of agricultural and food chemistry |
Complexity: | 476 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 6 |
Exact Mass: | 342.255880323 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.255880323 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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