CAS 822-19-5 | 8,10,12-Octadecatrienoic acid, (8E,10E,12E)- | CAS Number 822-19-5

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822-19-5 | 8,10,12-Octadecatrienoic acid, (8E,10E,12E)-

CAS No: 822-19-5 Catalog No: AG0056FJ MDL No:

Product Description

Catalog Number:

AG0056FJ

Chemical Name:

8,10,12-Octadecatrienoic acid, (8E,10E,12E)-

CAS Number:

822-19-5

Molecular Formula:

C18H30O2

Molecular Weight:

278.4296

IUPAC Name:

(8E,10E,12E)-octadeca-8,10,12-trienoic acid

InChI:

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6+,9-8+,11-10+

InChI Key:

DQGMPXYVZZCNDQ-OBWVEWQSSA-N

SMILES:

CCCCC/C=C/C=C/C=C/CCCCCCC(=O)O

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.436g/mol

Monoisotopic Mass:

278.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.7

Literature

Title	Journal
jacaric acid, a linolenic acid isomer with a conjugated triene system, reduces stearoyl-CoA desaturase expression in liver of mice.	Journal of oleo science 20120101
Growth inhibition and apoptosis induction by all-trans-conjugated linolenic acids on human colon cancer cells.	Anticancer research 20060101
Formation of conjugated delta8,delta10-double bonds by delta12-oleic-acid desaturase-related enzymes: biosynthetic origin of calendic acid.	The Journal of biological chemistry 20010126