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Naginata ketone

CAT: 0013-GTR19179590-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179590-01Size:1 mg
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Description
Naginata ketone (Dehydroelsholtzione) is a plant-derived natural furanone utilized in organic synthesis. It serves as a biochemical tool in research, with studies exploring its potential biological activities in both in vitro and in vivo experimental models.
CAS Number
6138-88-1
Product Name Alternative
Dehydroelsholtzione, Naginata ketone
Purity
99.38% (May vary between batches)
Smiles
O=C (C=C (C) C) C=1OC=CC1C
Molecular Formula
C10H12O2
Molecular Weight
164.2
Storage Conditions
Keep away from direct sunlight, keep away from moisture, store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Dehydroelsholtzia ketone

Elsholtzione, .alpha.-dehydro has been reported in Perilla frutescens and Elsholtzia ciliata with data available.

CAS Number6138-88-1
PubChem CID564412
IUPAC Name3-methyl-1-(3-methylfuran-2-yl)but-2-en-1-one
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.8
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity202
SMILES
CC1=C(OC=C1)C(=O)C=C(C)C
InChI
InChI=1S/C10H12O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-6H,1-3H3
InChIKey
XWFVDCOWPBJQFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dehydroelsholtzia ketone
CAS: 6138-88-1
CID: 564412
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area30.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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