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113972-57-9

113972-57-9 | Oxiraneoctanoic acid, 3-(2-octenyl)- (9CI)

CAS No: 113972-57-9 Catalog No: AG000A8A MDL No:

Product Description

Catalog Number:
AG000A8A
Chemical Name:
Oxiraneoctanoic acid, 3-(2-octenyl)- (9CI)
CAS Number:
113972-57-9
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
IUPAC Name:
8-(3-oct-2-enyloxiran-2-yl)octanoic acid
InChI:
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)
InChI Key:
FBUKMFOXMZRGRB-UHFFFAOYSA-N
SMILES:
CCCCCC=CCC1OC1CCCCCCCC(=O)O

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.6  

Literature

Title Journal
Allergic asthmatics show divergent lipid mediator profiles from healthy controls both at baseline and following birch pollen provocation. PloS one 20120101
Development of a semi-automated LC/MS/MS method for the simultaneous quantitation of 14,15-epoxyeicosatrienoic acid, 14,15-dihydroxyeicosatrienoic acid, leukotoxin and leukotoxin diol in human plasma as biomarkers of soluble epoxide hydrolase activity in vivo. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110901
Tetrahydrofurandiols (THF-diols), leukotoxindiols (LTX-diols), and endocrine disruption in rats. Environmental health perspectives 20070501
Dihydroxyoctadecamonoenoate esters inhibit the neutrophil respiratory burst. Journal of biosciences 20070301
The role of inflammatory mediators in the synergistic toxicity of ozone and 1-nitronaphthalene in rat airways. Environmental health perspectives 20060901
Leukotoxin diols from ground corncob bedding disrupt estrous cyclicity in rats and stimulate MCF-7 breast cancer cell proliferation. Environmental health perspectives 20051201
Effect of linoleic acid metabolites on Na(+)/K(+) pump current in N20.1 oligodendrocytes: role of membrane fluidity. Toxicology and applied pharmacology 20020701

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