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Etheroleic acid

CAT: 0013-GTR19238084-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238084-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Etheroleic acid, a linoleic acid metabolite, demonstrates antifungal activity against Blumeria graminis in barley. This makes it a compound of interest for plant pathology research, particularly in studying in vivo plant defense mechanisms and in vitro antifungal assays.
CAS Number
169217-38-3
Smiles
C (C/C=C\C=C\O/C=C/CCCC) CCCCCC (O) =O
Molecular Formula
C18H30O3
Molecular Weight
294.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

12-[(Hex-1-en-1-yl)oxy]dodeca-9,11-dienoic acid
CAS Number169217-38-3
PubChem CID25203459
IUPAC Name12-hex-1-enoxydodeca-9,11-dienoic acid
Molecular FormulaC18H30O3
Molecular Weight294.4
XLogP5.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity316
SMILES
CCCCC=COC=CC=CCCCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h9,11,13-14,16-17H,2-8,10,12,15H2,1H3,(H,19,20)
InChIKey
NQNHRHWFZHFAAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-[(Hex-1-en-1-yl)oxy]dodeca-9,11-dienoic acid
CAS: 169217-38-3
CID: 25203459
Formula: C18H30O3
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass294.21949481
Monoisotopic Mass294.21949481
Topological Polar Surface Area46.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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