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Aurofusarin

CAT: 0013-GTR19236136-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236136-02Size:10 mg
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Description
Aurofusarin is a secondary metabolite produced by the fungal pathogen Fusarium graminearum. This compound, co-produced with other metabolites like zearalenone and enniatin, is utilized in research on mycotoxin biosynthesis, fungal pathogenicity, and in vitro studies of its biological activities.
CAS Number
13191-64-5
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=C (OC=2C=C3C (=O) C (OC) =C (C (=O) C3=C (O) C12) C=4C (=O) C5=C (O) C=6C (=O) C=C (OC6C=C5C (=O) C4OC) C) C
Molecular Formula
C30H18O12
Molecular Weight
570.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aurofusarin

Aurofusarin is an organic heterotricyclic compound and an organooxygen compound.

CAS Number13191-64-5
PubChem CID99586
IUPAC Name5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl-4,6,9-trioxobenzo[g]chromen-7-yl)-8-methoxy-2-methylbenzo[g]chromene-4,6,9-trione
Molecular FormulaC30H18O12
Molecular Weight570.5
XLogP3.4
Topological Polar Surface Area180
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count42
Formal Charge0
Complexity1370
SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)OC
InChI
InChI=1S/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3
InChIKey
VSWWTKVILIZDGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurofusarin
CAS: 13191-64-5
CID: 99586
Formula: C30H18O12
MW: 570.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass570.07982601
Monoisotopic Mass570.07982601
Topological Polar Surface Area180 Ų
Heavy Atom Count42
Formal Charge0
Complexity1370
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
TN8054-01Aurofusarin
441923-01Aurofusarin discontinued. See 207079

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