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(±) -Methyl Jasmonate

CAT: 0957-S3088-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S3088-02Size:1 g
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Description
(±) -Methyl Jasmonate (MeJA, Methyl jasmonate, Methyl 2- (3-oxo-2- (pent-2-en-1-yl) cyclopentyl) acetate), a phytohormone that acts as a vital cell regulator in plants, is a new candidate for the treatment of Inflammatory bowel diseases (IBDs), modulating the expression of the major classes of caspase-type protease families.
CAS Number
39924-52-2
Synonyms
MeJA, Methyl jasmonate, Methyl 2- (3-oxo-2- (pent-2-en-1-yl) cyclopentyl) acetate
Target
Caspase
Activity
Apoptosis
Molecular Formula
C13H20O3
Storage Conditions
2 years -20°C liquid

Chemical Information

Methyl 2-(3-Oxo-2-((E)-Pent-2-Enyl)Cyclopentyl)Acetate

See also: Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate (annotation moved to); (-)-Methyl jasmonate (annotation moved to); Methyl-3-oxo-2-pent-2-enyl-1-cyclopentylacetate (annotation moved to) ... View More ...

CAS Number39924-52-2
PubChem CID5367719
IUPAC Namemethyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
Molecular FormulaC13H20O3
Molecular Weight224.30
XLogP1.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity281
SMILES
CC/C=C/CC1C(CCC1=O)CC(=O)OC
InChI
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKey
GEWDNTWNSAZUDX-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(3-Oxo-2-((E)-Pent-2-Enyl)Cyclopentyl)Acetate
CAS: 39924-52-2
CID: 5367719
Formula: C13H20O3
MW: 224.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.30
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass224.14124450
Monoisotopic Mass224.14124450
Topological Polar Surface Area43.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-205386B(±) -Methyl Jasmonate
BUP16087-01Methyl jasmonate
MBS5751377(+/-)-Methyl Jasmonate

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