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Stearidonic Acid

CAT: 0572-TRC-S686450-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S686450-10MGSize:10 mg
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CAS Number
20290-75-9
Synonyms
6,9,12,15-Octadecatetraenoic acid, (6Z,9Z,12Z,15Z)-; 6,9,12,15-Octadecatetraenoic acid, (all-Z)- (8CI); (6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoic acid; (6Z,9Z,12Z,15Z)-Octadecatetraenoic acid; (Z,Z,Z,Z)-6,9,12,15-Octadecatetraenoic acid; (all-Z)-6,9,12,15-Octadecatetraenoic acid; 18:4(n-3); 6,9,12,15-cis-Octadecatetraenoic acid; 6Z,9Z,12Z,15Z-Octadecatetraenoic acid; Moroctic acid; Stearidonic acid; all-cis-6,9,12,15-Octadecatetraenoic acid; Δ6,9,12,15-Octadecatetraenoic acid
Hazard Statement
Causes mild skin irritation.
Purity
>95% (HPLC)
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O
Molecular Formula
C18 H28 O2
Molecular Weight
276.41
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
Additionnal Information
IUPAC name: (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Stearidonic Acid

All-cis-octadeca-6,9,12,15-tetraenoic acid is an octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils. It has a role as a mouse metabolite, a plant metabolite and a Daphnia galeata metabolite. It is a long-chain fatty acid, an omega-3 fatty acid and an octadecatetraenoic acid. It is a conjugate acid of a (6Z,9Z,12Z,15Z)-octadecatetraenoate.

CAS Number20290-75-9
PubChem CID5312508
IUPAC Name(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
Molecular FormulaC18H28O2
Molecular Weight276.4
XLogP5.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity335
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
InChIKey
JIWBIWFOSCKQMA-LTKCOYKYSA-N
Chemical Structure
2D Structure
2D structure of Stearidonic Acid
CAS: 20290-75-9
CID: 5312508
Formula: C18H28O2
MW: 276.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass276.208930132
Monoisotopic Mass276.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity335
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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