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Arachidyl oleate

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Description
Arachidyl oleate (Oleic acid, eicosyl ester) is an ester product.
CAS Number
22393-88-0
Product Name Alternative
Oleic acid, eicosyl ester
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/arachidyl-oleate.html
Smiles
CCCCCCCC/C=C\CCCCCCCC(OCCCCCCCCCCCCCCCCCCCC)=O
Molecular Formula
C38H74O2
Molecular Weight
562.99
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Arachidyl oleate

Arachidyl oleate is a wax ester obtained by the formal condensation of icosan-1-ol with oleic acid. It is functionally related to an oleic acid and an icosan-1-ol.

CAS Number22393-88-0
PubChem CID6436542
IUPAC Nameicosyl (Z)-octadec-9-enoate
Molecular FormulaC38H74O2
Molecular Weight563.0
XLogP17.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count35
Heavy Atom Count40
Formal Charge0
Complexity498
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3/b22-18-
InChIKey
HKJBUPVMFYBSHI-PYCFMQQDSA-N
Chemical Structure
2D Structure
2D structure of Arachidyl oleate
CAS: 22393-88-0
CID: 6436542
Formula: C38H74O2
MW: 563.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight563.0
XLogP317.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count35
Exact Mass562.56888160
Monoisotopic Mass562.56888160
Topological Polar Surface Area26.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes