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2',4'-Dihydroxy-7-methoxy-8-prenylflavan

CAT: 0926-GNA95416-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-GNA95416-01Size:10 mg
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CAS Number
331954-16-6
MDL Number
MFCD28975386
Smiles
CC (=CCC1=C (C=CC2=C1OC (CC2) C3=C (C=C (C=C3) O) O) OC) C
Molecular Formula
C21H24O4
Molecular Weight
340.4 g/mol
Controlled
No

Chemical Information

2',4'-Dihydroxy-7-methoxy-8-prenylflavan

2',4'-Dihydroxy-7-methoxy-8-prenylflavan is a member of flavans.

CAS Number331954-16-6
PubChem CID10759602
IUPAC Name4-[7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
Molecular FormulaC21H24O4
Molecular Weight340.4
XLogP5
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity459
SMILES
CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H24O4/c1-13(2)4-8-17-19(24-3)10-5-14-6-11-20(25-21(14)17)16-9-7-15(22)12-18(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3
InChIKey
OAUAVKGFNHNNGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',4'-Dihydroxy-7-methoxy-8-prenylflavan
CAS: 331954-16-6
CID: 10759602
Formula: C21H24O4
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass340.16745924
Monoisotopic Mass340.16745924
Topological Polar Surface Area58.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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