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Ethyl 13-hydroxy-α-linolenate

CAT: 0013-GTR19179603Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179603Size:5 mg
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Description
Ethyl 13-hydroxy-α-linolenate (CAS 123435-84-7) is a fatty acid derivative used in life science research. It serves as a biochemical tool for studying oxylipin pathways and lipid metabolism in both in vitro and in vivo experimental models.
CAS Number
123435-84-7
Smiles
CCOC (=O) CCCCCCC\C=C/C=C/C (O) C\C=C/CC
Molecular Formula
C20H34O3
Molecular Weight
322.489
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 14350895
CAS Number123435-84-7
PubChem CID14350895
IUPAC Nameethyl (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoate
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP5.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity356
SMILES
CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)OCC)O
InChI
InChI=1S/C20H34O3/c1-3-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18-20(22)23-4-2/h5,9,11,13-14,17,19,21H,3-4,6-8,10,12,15-16,18H2,1-2H3/b11-9-,13-5-,17-14+
InChIKey
KTCYKTYHVKFBJI-ZDKYARGRSA-N
Chemical Structure
2D Structure
2D structure of CID 14350895
CAS: 123435-84-7
CID: 14350895
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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