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3,8-Dihydroxy-2,4,6-trimethoxyxanthone

CAT: 0013-GTR19188424-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188424-01Size:1 mg
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Description
3,8-Dihydroxy-2,4,6-trimethoxyxanthone (CAS 65008-17-5) is a natural xanthone isolated from Cystopteris species. It serves as a phytochemical reference standard for research in natural product chemistry and has been investigated in vitro for its potential biological activities.
CAS Number
65008-17-5
Smiles
COc1cc (O) c2c (c1) oc1c (OC) c (O) c (OC) cc1c2=O
Molecular Formula
C16H14O7
Molecular Weight
318.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,8-Dihydroxy-2,4,6-trimethoxyxanthone

1,6-Dihydroxy-3,5,7-trimethoxyxanthone is a member of xanthones.

CAS Number65008-17-5
PubChem CID5316837
IUPAC Name1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
Molecular FormulaC16H14O7
Molecular Weight318.28
XLogP2.7
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity442
SMILES
COC1=CC(=C2C(=C1)OC3=C(C(=C(C=C3C2=O)OC)O)OC)O
InChI
InChI=1S/C16H14O7/c1-20-7-4-9(17)12-10(5-7)23-15-8(13(12)18)6-11(21-2)14(19)16(15)22-3/h4-6,17,19H,1-3H3
InChIKey
IDZNVJWQZDSPIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,8-Dihydroxy-2,4,6-trimethoxyxanthone
CAS: 65008-17-5
CID: 5316837
Formula: C16H14O7
MW: 318.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.28
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass318.07395278
Monoisotopic Mass318.07395278
Topological Polar Surface Area94.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity442
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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