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Xanthatin

CAT: 1410-M18336-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M18336-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Xanthatin has antibacterial and antifungal activies against MRSA.
CAS Number
26791-73-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
246.3
Molecular Formula
C15H18O3
Notes
Research use only, not for human use.
Receptor
Wnt/β-catenin

Chemical Information

(-)-Xanthatin

Xanthatin is a sesquiterpene lactone.

CAS Number26791-73-1
PubChem CID5281511
IUPAC Name(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Molecular FormulaC15H18O3
Molecular Weight246.30
XLogP2.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity456
SMILES
C[C@H]1C[C@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2
InChI
InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
InChIKey
RBRPTFMVULVGIC-ZTIIIDENSA-N
Chemical Structure
2D Structure
2D structure of (-)-Xanthatin
CAS: 26791-73-1
CID: 5281511
Formula: C15H18O3
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass246.125594432
Monoisotopic Mass246.125594432
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR192320328-epi-Xanthatin
A14625-10mM-DXanthatin 10mM * 1mL in DMSO

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