571-74-4

Basic information

• Product Name: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
• Synonyms: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one;8-Methoxykaempferol;8-Methylherbacetin;Herbacetin 8-methyl ether;Sexangularetin
• CAS NO: 571-74-4
• Molecular Formula: C₁₆H₁₂O₇
• Molecular Weight: 316.26228
• Mol File: 571-74-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 276-278℃
• Boiling Point: 603.2°Cat760mmHg
• Flash Point: 229.3°C
• Appearance: /
• Density: 1.634
• Vapor Pressure: 3.81E-15mmHg at 25°C
• Refractive Index: 1.74
• PKA: 6.66±0.40(Predicted)
• CAS DataBase Reference: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one(571-74-4)
• EPA Substance Registry System: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one(571-74-4)

Safety Data

• Hazardous Substances Data: 571-74-4(Hazardous Substances Data)

Usage

Definition

ChEBI: A 7-hydroxyflavonol that is kaempferol substituted by a methoxy group at position 8.

InChI:InChI=1/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3

Upstream product

• 94035-83-3 3,5,7,4'-tetrahydroxy-8-methoxyflavone-3-O-β-D-glucopyranoside 
• 117155-54-1 2-(4-Benzyloxy-phenyl)-3,5,7-trihydroxy-8-methoxy-chromen-4-one 
• 117155-48-3 Toluene-4-sulfonic acid 2-(4-benzyloxy-phenyl)-3,5,8-trimethoxy-4-oxo-4H-chromen-7-yl ester 

Relevant articles and documents

SEXANGULARETIN 3-GLUCOSIDE-7-RHAMNOSIDE FROM GOSSYPIUM HIRSUTUM

A new diglycosylated flavonol was isolated from immature flower buds of the cotton plant Gossypium hirsutum.The structure was determined to be the 3-glucoside-7-rhamnoside of 3,5,7,4'-tetrahydroxy-8-methoxyflavone.Key words: Gossypium hirsutum; Malvaceae; cotton; 3,5,7,4'-tetrahydroxy-8-methoxyflavone 3-glucoside-7-rhamnoside,; sexangularetin; herbacetin 8-methyl ether.

Studies of the selective O-alkylation and dealkylation of flavonoids. XI. A new convenient method for synthesizing 3,5,7-trihydroxy-8-methoxyflavones from 7-hydroxy-3,5,8-trimethoxyflavones

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FLAVONOID CONSTITUENTS OF EPHEDRA ALATA

Two new flavonol glucosides have been identified in Ephedra alata, namely, herbacetin 8-methyl ether 3-O-glucoside-7-O-rutinoside and herbacetin 7-O-(6''-quinylglucoside).The known flavonoids vicenin II, lucenin III, kaempferol 3-rhamnoside, quercetin 3-rhamnoside and herbacetin 7-glucoside were also found.The structure of the isolated compounds was determined mostly by FABMS and 1H NMR spectroscopy.The final structure of the new compounds and of herbacetin 7-glucoside was confirmed by 13C NMR soectroscopy. Key Word Index - Ephedra alata; Ephedraceae; herbacetin 8-methyl ether 3-O-glucoside-7-O-rutinoside; herbacetin 7-O-(6''-quinyl glucoside); flavonol O-glycosides and C-glycosylflavones.