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20013-23-4

20013-23-4 Structure

20013-23-4 Structure
IdentificationBack Directory
[Name]

2-(3-Methoxy-4-hydroxyphenyl)-6-α-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
[CAS]

20013-23-4
[Synonyms]

(-)-Isoscoparin
Isoorientin 3'-methyl ether
2-(3-Methoxy-4-hydroxyphenyl)-6-α-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
6-(β-D-Glucopyranosyl)-2-(3-methoxy-4-hydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
[Molecular Formula]

C22H22O11
[MOL File]

20013-23-4.mol
[Molecular Weight]

462.4
Chemical PropertiesBack Directory
[Boiling point ]

818.6±65.0 °C(Predicted)
[density ]

1.649±0.06 g/cm3(Predicted)
[pka]

5.90±0.40(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Definition]

ChEBI:Isoscoparin is a C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6. It has a role as a metabolite. It is a trihydroxyflavone, a monomethoxyflavone, a monosaccharide derivative and a C-glycosyl compound. It is functionally related to a 4',5,7-trihydroxy-3'-methoxyflavone. It is a conjugate acid of an isoscoparin-7-olate.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-Methoxy-4-hydroxyphenyl)-6-α-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one(20013-23-4)1HNMR
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