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Chemical structure of ethyl (9E,11Z,13Z)-octadeca-9,11,13-trienoate

GC40785

ethyl (9E,11Z,13Z)-octadeca-9,11,13-trienoate

Also listed as 9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester

9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester (α-ESA) is a conjugated polyunsaturated fatty acid commonly found in plant seed oil

ChemicalCAS42021-86-3MW306.5FormulaC20H34O2
CAS number
42021-86-3
Molecular weight
306.5
Formula
C20H34O2
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 100 mg/ml
InChIKey
YVGCHYVFHLTZIM-PWLDKSICSA-N
Catalogue number
GC40785
Brand
GLPBIO
Computed properties PubChem CID 177843228 · XLogP 7.1 · TPSA 26.3 Ų · H-bond donors 0
XLogP
7.1
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
15
Heavy atoms
22

SMILES CCCC/C=C\C=C/C=C/CCCCCCCC(=O)OCC

Computed descriptors from PubChem (CID 177843228), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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