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1-Hydroxy-2,3,4,7-tetramethoxyxanthone

CAT: 1407-AB3553Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3553Size:10 mg
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CAS Number
14103-09-4
Purity
98% (HPLC)
Molecular Formula
C17H16O7
Molecular Weight
332.3

Chemical Information

1-Hydroxy-2,3,4,7-tetramethoxyxanthone

1-Hydroxy-2,3,4,7-tetramethoxyxanthone has been reported in Halenia elliptica, Halenia corniculata, and other organisms with data available.

CAS Number14103-09-4
PubChem CID5318358
IUPAC Name1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one
Molecular FormulaC17H16O7
Molecular Weight332.3
XLogP3
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
InChI
InChI=1S/C17H16O7/c1-20-8-5-6-10-9(7-8)12(18)11-13(19)15(21-2)17(23-4)16(22-3)14(11)24-10/h5-7,19H,1-4H3
InChIKey
MIPXRVRWIMVNPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2,3,4,7-tetramethoxyxanthone
CAS: 14103-09-4
CID: 5318358
Formula: C17H16O7
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass332.08960285
Monoisotopic Mass332.08960285
Topological Polar Surface Area83.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
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