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Auriculatin

CAT: 0931-T125398-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125398-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20387-73-9
Target
Others
Related Pathways
Others
Bioactivity
Auriculatin is a useful organic compound for research related to life sciences. The catalog number is T125398 and the CAS number is 20387-73-9.
Smiles
CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)cc1O)c2=O
Molecular Formula
C25H24O6
Molecular Weight
420.461
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Auriculatin

Auriculatin is a member of isoflavanones.

CAS Number20387-73-9
PubChem CID5358847
IUPAC Name7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Molecular FormulaC25H24O6
Molecular Weight420.5
XLogP5.5
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity792
SMILES
CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-7-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)15-8-6-14(26)11-19(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey
IEKQCBVQJGWJRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Auriculatin
CAS: 20387-73-9
CID: 5358847
Formula: C25H24O6
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass420.15728848
Monoisotopic Mass420.15728848
Topological Polar Surface Area96.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity792
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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