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Leptospermone

CAT: 0931-T32654-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T32654-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
567-75-9
Target
Others, Reactive Oxygen Species
Related Pathways
Others, NF-κB, Metabolism, Immunology/Inflammation
Bioactivity
Leptospermone is an essential oil from Leptospermum scoparium (manuka oil) .
Smiles
C(CC(C)C)(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
Molecular Formula
C15H22O4
Molecular Weight
266.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Leptospermone

leptospermone has been reported in Leptospermum scoparium, Kunzea pauciflora, and other organisms with data available.

CAS Number567-75-9
PubChem CID3083632
IUPAC Name2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP2.9
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity425
SMILES
CC(C)CC(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C
InChI
InChI=1S/C15H22O4/c1-8(2)7-9(16)10-11(17)14(3,4)13(19)15(5,6)12(10)18/h8,10H,7H2,1-6H3
InChIKey
YDWYMAHAWHBPPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leptospermone
CAS: 567-75-9
CID: 3083632
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area68.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity425
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

Alternative Products

CatalogName
HY-114991-01Leptospermone

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