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1,3,5,8-Tetrahydroxyxanthone

CAT: 1407-AB1133Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB1133Size:20 mg
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CAS Number
2980-32-7
Purity
98% (HPLC)
Molecular Formula
C13H8O6
Molecular Weight
260.201

Chemical Information

Demethylbellidifolin

Bellidin is a member of the class of xanthones that is xanthone which is substituted by hydroxy groups at positions 1, 3, 5, and 8. A natural product found particularly in Iris nigricans and Gentiana campestris. It has a role as an antioxidant, a metabolite, a mutagen, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a radical scavenger. It is a tetrol and a member of xanthones. It is functionally related to a xanthone.

CAS Number2980-32-7
PubChem CID5281626
IUPAC Name1,3,5,8-tetrahydroxyxanthen-9-one
Molecular FormulaC13H8O6
Molecular Weight260.20
XLogP2.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity372
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
InChIKey
MPXAWSABMVLIBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Demethylbellidifolin
CAS: 2980-32-7
CID: 5281626
Formula: C13H8O6
MW: 260.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.20
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass260.03208797
Monoisotopic Mass260.03208797
Topological Polar Surface Area107 Ų
Heavy Atom Count19
Formal Charge0
Complexity372
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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Alternative Products

CatalogName
HY-N2050-011,3,5,8-Tetrahydroxyxanthone
2997821,3,5,8-Tetrahydroxyxanthone (Desmethylbellidifolin)
TN24871,3,5,6-Tetrahydroxyxanthone
ZDA42008-013,4,5,6-Tetrahydroxyxanthone
294948-011,3,6,7-Tetrahydroxyxanthone-C2-b-D-glucoside
GTR191544901,3,5,8-Tetrahydroxylxanthone
JH9184253-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-1-ol
TN24881,3,5-Cadinatriene-3,8-diol
OR30101-011,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene
sc-390821TFIIIB90-1/2/3/5 (A-8)

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