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Epimedonin J

CAT: 0804-HY-N9670Size: 1 EachDry Ice: NoHazardous: No
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Description
Epimedonin J is a natural product[1].
CAS Number
2222285-84-7
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/epimedonin-j.html
Smiles
O=C1C=C(OC2=C(C/C=C(C)\C)C(O)=CC(O)=C21)OC3=CC=C(C(C/C=C(C)\C)=C3)O
Molecular Formula
C25H26O6
Molecular Weight
422.47
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Epimedonin J
CAS Number2222285-84-7
PubChem CID133561647
IUPAC Name5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenoxy]-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC25H26O6
Molecular Weight422.5
XLogP6.6
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity730
SMILES
CC(=CCC1=C(C=CC(=C1)OC2=CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)C
InChI
InChI=1S/C25H26O6/c1-14(2)5-7-16-11-17(8-10-19(16)26)30-23-13-22(29)24-21(28)12-20(27)18(25(24)31-23)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3
InChIKey
SLJQOYUZQWTWBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Epimedonin J
CAS: 2222285-84-7
CID: 133561647
Formula: C25H26O6
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass422.17293854
Monoisotopic Mass422.17293854
Topological Polar Surface Area96.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity730
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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