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Ethyl 9 (E),12 (E) -octadecadienoate

CAT: 0804-HY-166082Size: 1 EachDry Ice: NoHazardous: No
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Description
Ethyl 9 (E),12 (E) -octadecadienoate is an ester product.
CAS Number
6114-21-2
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ethyl-9-e-12-e-octadecadienoate.html
Smiles
CCCCC/C=C/C/C=C/CCCCCCCC(OCC)=O
Molecular Formula
C20H36O2
Molecular Weight
308.50
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

9,12-Octadecadienoic acid, ethyl ester

mandenol has been reported in Artemisia argyi and Dioscorea with data available.

CAS Number6114-21-2
PubChem CID5365672
IUPAC Nameethyl (9E,12E)-octadeca-9,12-dienoate
Molecular FormulaC20H36O2
Molecular Weight308.5
XLogP7.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity292
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC
InChI
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8+,12-11+
InChIKey
FMMOOAYVCKXGMF-MVKOLZDDSA-N
Chemical Structure
2D Structure
2D structure of 9,12-Octadecadienoic acid, ethyl ester
CAS: 6114-21-2
CID: 5365672
Formula: C20H36O2
MW: 308.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.5
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass308.271530387
Monoisotopic Mass308.271530387
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS394319-01Ethyl 9(E),12(E)-octadecadienoate
MBS392791-01Ethyl 9 (Z),12 (Z)-Octadecadienoate
MBS392559-01Methyl 9 (E),12 (E)-Octadecadienoate
MBS392574-01Methyl 9 (E),12 (Z)-Octadecadienoate
MBS392573-01Methyl 9 (Z),12 (E)-Octadecadienoate
MBS392567-01Methyl 10 (E),12 (Z)-Octadecadienoate
MBS3920195Methyl 10(E),12(Z)-Octadecadienoate 90%
TCL-00206-01Cholesteryl 9,12-octadecadienoate
MBS392566-01Methyl 9 (E),11 (E)-Octadecadienoate
MBS392561-01Methyl 11 (E),13 (E)-Octadecadienoate

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