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Xanthorin

CAT: 0013-GTR19231581-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231581-02Size:5 mg
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Description
Xanthorin serves as a high-purity reference standard for analytical research. It is utilized in phytochemical and pharmacological studies, including in vitro assays to investigate natural product biosynthesis and biological activity.
CAS Number
17526-15-7
Smiles
O=C1C2=CC (=CC (O) =C2C (=O) C3=C (O) C=C (OC) C (O) =C13) C
Molecular Formula
C16H12O6
Molecular Weight
300.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,4,5-Trihydroxy-2-methoxy-7-methyl-9,10-anthracenedione

Xanthorin is an anthraquinone.

CAS Number17526-15-7
PubChem CID12444971
IUPAC Name1,4,5-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP3.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity477
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O
InChI
InChI=1S/C16H12O6/c1-6-3-7-11(8(17)4-6)16(21)12-9(18)5-10(22-2)15(20)13(12)14(7)19/h3-5,17-18,20H,1-2H3
InChIKey
GLLRIXZGBQOFLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,5-Trihydroxy-2-methoxy-7-methyl-9,10-anthracenedione
CAS: 17526-15-7
CID: 12444971
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area104 Ų
Heavy Atom Count22
Formal Charge0
Complexity477
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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