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Methylswertianin

CAT: 0013-GTR19183704Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183704Size:10 mg
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Description
Methylswertianin
CAS Number
22172-17-4
Smiles
O=C1C2=C (O) C=C (OC) C=C2OC3=CC=C (OC) C (O) =C13
Molecular Formula
C15H12O6
Molecular Weight
288.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,8-Dihydroxy-3,7-dimethoxyxanthone

2-O-methylswertianin is a member of the class of xanthones that is swertianin in which the hydroxy group at position 2 has been replaced by a methoxy group. It has a role as a plant metabolite. It is a polyphenol, an aromatic ether and a member of xanthones. It is functionally related to a swertianin.

CAS Number22172-17-4
PubChem CID5281653
IUPAC Name1,8-dihydroxy-2,6-dimethoxyxanthen-9-one
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP2.7
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity400
SMILES
COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O
InChI
InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3
InChIKey
PUECEVJMPDNNHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,8-Dihydroxy-3,7-dimethoxyxanthone
CAS: 22172-17-4
CID: 5281653
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area85.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity400
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
TBZ1666Methylswertianin

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