CAS 14465-68-0 | 9,12,15-Octadecatrienoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z,12Z,12'Z,12''Z,15Z,15'Z,15''Z)- | CAS Number 14465-68-0

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14465-68-0 | 9,12,15-Octadecatrienoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z,12Z,12'Z,12''Z,15Z,15'Z,15''Z)-

CAS No: 14465-68-0 Catalog No: AG001JXW MDL No:

Product Description

Catalog Number:

AG001JXW

Chemical Name:

9,12,15-Octadecatrienoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z,12Z,12'Z,12''Z,15Z,15'Z,15''Z)-

CAS Number:

14465-68-0

Molecular Formula:

C57H92O6

Molecular Weight:

873.3368

IUPAC Name:

2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

InChI:

InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,54H,4-6,13-15,22-24,31-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-

InChI Key:

UBEIMDKGOYBUKT-FLIQGJDUSA-N

SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC

EC Number:

238-457-5

UNII:

OI7S0A9873

Properties

Complexity:

1260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

872.689g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

873.357g/mol

Monoisotopic Mass:

872.689g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

18.3

Literature

Title	Journal
Studies of reaction variables for lipase-catalyzed production of alpha-linolenic acid enriched structured lipid and oxidative stability with antioxidants.	Journal of food science 20120101
Site specific delivery of microencapsulated fish oil to the gastrointestinal tract of the rat.	Digestive diseases and sciences 20090301
A cholesterol-free, high-fat diet suppresses gene expression of cholesterol transporters in murine small intestine.	American journal of physiology. Gastrointestinal and liver physiology 20080501
Chemometric approaches in calibration experiments of trilinolenoylglycerol by liquid chromatography ion-trap mass spectrometry.	Journal of the American Society for Mass Spectrometry 20050301
Polyunsaturated fatty acids inhibit hepatic stearoyl-CoA desaturase-1 gene in diabetic mice.	Lipids 19960301