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Diosmetin 7-O-β-D-glucuronide

CAT: 1407-AB3070Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3070Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35110-20-4
Purity
98% (HPLC)
Molecular Formula
C22H20O12
Molecular Weight
476.39

Chemical Information

Diosmetin 7-O-beta-D-glucuronide

Diosmetin 7-glucuronide has been reported in Meehania fargesii, Pedalium murex, and other organisms with data available.

CAS Number35110-20-4
PubChem CID54462250
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC22H20O12
Molecular Weight476.4
XLogP1.1
Topological Polar Surface Area192
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity801
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
InChI
InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1
InChIKey
XCKMDTYMOHXUHG-SXFAUFNYSA-N
Chemical Structure
2D Structure
2D structure of Diosmetin 7-O-beta-D-glucuronide
CAS: 35110-20-4
CID: 54462250
Formula: C22H20O12
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass476.09547607
Monoisotopic Mass476.09547607
Topological Polar Surface Area192 Ų
Heavy Atom Count34
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GY4535-5mgDiosmetin 7-O-β-D-glucuronide
BUP00502-01DiosMetin 7-O-ß-D-Glucuronide
KBA11020-01Diosmetin 7-o-beta-D-glucuronide
HY-N6879RDiosMetin 7-O-β-D-Glucuronide (Standard)
GC2826-2mgDiosmetin 3'',7-di-O-β-D-glucuronide
010685Diosmetin 7-O-β-D-Glucuronide Sodium Salt
GC1309-2mgDiosmetin 3''-O-β-D-glucuronide
163881Diosmetin 3-O-β-D-Glucuronide
HY-W768439Diosmetin 7-O-β-D-Glucuronide-d3 Sodium Salt
TRC-D485010-50MGDiosmetin 7-O-beta-D-Glucuronide Sodium Salt

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