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Linoleyl linolenate

CAT: 0804-HY-165973Size: 1 EachDry Ice: NoHazardous: No
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Description
Linoleyl linolenate is an ester product.
CAS Number
125369-03-1
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/linoleyl-linolenate.html
Smiles
CCCCC/C=C\C/C=C\CCCCCCCCOC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O
Molecular Formula
C36H62O2
Molecular Weight
526.88
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Linoleyl linolenate

Linoleyl linolenate is a wax ester.

CAS Number125369-03-1
PubChem CID56935956
IUPAC Name[(9Z,12Z)-octadeca-9,12-dienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Molecular FormulaC36H62O2
Molecular Weight526.9
XLogP13.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count29
Heavy Atom Count38
Formal Charge0
Complexity623
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C36H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20H,3-5,7,9-10,15-16,21-35H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-
InChIKey
WBOOWOSHLDPENH-DYXXURTGSA-N
Chemical Structure
2D Structure
2D structure of Linoleyl linolenate
CAS: 125369-03-1
CID: 56935956
Formula: C36H62O2
MW: 526.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.9
XLogP313.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count29
Exact Mass526.47498122
Monoisotopic Mass526.47498122
Topological Polar Surface Area26.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes