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1,2,3,7-tetraMethoxyxanthone

CAT: 1410-M38801-01Size: 1 EachDry Ice: NoHazardous: No
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Description
1,2,3,7-Tetramethoxyxanthone is a natural product from Polygala tenuifolia Willd.
CAS Number
22804-52-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
316.309
Molecular Weight
C17H16O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

1,2,3,7-Tetramethoxyxanthen-9-One

1,2,3,7-tetramethoxyxanthen-9-one has been reported in Polygala tenuifolia and Bupleurum scorzonerifolium with data available.

CAS Number22804-52-0
PubChem CID14528828
IUPAC Name1,2,3,7-tetramethoxyxanthen-9-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.8
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity427
SMILES
COC1=CC2=C(C=C1)OC3=CC(=C(C(=C3C2=O)OC)OC)OC
InChI
InChI=1S/C17H16O6/c1-19-9-5-6-11-10(7-9)15(18)14-12(23-11)8-13(20-2)16(21-3)17(14)22-4/h5-8H,1-4H3
InChIKey
FYLQNKRJVPRLKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,7-Tetramethoxyxanthen-9-One
CAS: 22804-52-0
CID: 14528828
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area63.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity427
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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