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Ampeloptin (Mixture)

CAT: 1596-AR-A06460-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A06460-02Size:25 Units
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CAS Number
557792-97-9
Molecular Formula
C15H12O8
Molecular Weight
320.25
API Name
Ampeloptin

Chemical Information

3,5,7-Trihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-4-one

Dihydromyricetin is a hexahydroxyflavanone that is the 2,3-dihydro derivative of myricetin. It is a member of 4'-hydroxyflavanones, a flavanonol, a secondary alpha-hydroxy ketone, a hexahydroxyflavanone, a 3',5'-dihydroxyflavanone and a member of dihydroflavonols. It is functionally related to a myricetin.

CAS Number557792-97-9
PubChem CID5153580
IUPAC Name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O8
Molecular Weight320.25
XLogP1.1
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity445
SMILES
C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H
InChIKey
KJXSIXMJHKAJOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5,7-Trihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-4-one
CAS: 557792-97-9
CID: 5153580
Formula: C15H12O8
MW: 320.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.25
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass320.05321734
Monoisotopic Mass320.05321734
Topological Polar Surface Area148 Ų
Heavy Atom Count23
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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