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Sophoradin 1mg

CAT: 0628-A20833-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A20833-1Size:1 mg
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CAS Number
23057-54-7

Chemical Information

Sophoradin

Sophoradin is a member of chalcones.

CAS Number23057-54-7
PubChem CID5321393
IUPAC Name(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Molecular FormulaC30H36O4
Molecular Weight460.6
XLogP9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity748
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)C
InChI
InChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+
InChIKey
YAPAFDNQABLIIN-XNTDXEJSSA-N
Chemical Structure
2D Structure
2D structure of Sophoradin
CAS: 23057-54-7
CID: 5321393
Formula: C30H36O4
MW: 460.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.6
XLogP39
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass460.26135963
Monoisotopic Mass460.26135963
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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