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Stearidonic Acid Ethyl Ester

CAT: 0572-TRC-S686460-10MGSize: 10 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-S686460-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119798-44-6
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
Molecular Formula
C20 H32 O2
Molecular Weight
304.47
InChI
InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
Additionnal Information
IUPAC name: ethyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

Ethyl stearidonate

Ethyl stearidonate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearidonic acid with the hydroxy group of ethanol. It is functionally related to an all-cis-octadeca-6,9,12,15-tetraenoic acid.

CAS Number119798-44-6
PubChem CID6450798
IUPAC Nameethyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Molecular FormulaC20H32O2
Molecular Weight304.5
XLogP5.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity362
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
InChI
InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
InChIKey
RIDOSNBWMUADGT-AFSLFLIVSA-N
Chemical Structure
2D Structure
2D structure of Ethyl stearidonate
CAS: 119798-44-6
CID: 6450798
Formula: C20H32O2
MW: 304.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.5
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass304.240230259
Monoisotopic Mass304.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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