19416-87-6

Basic information

• Product Name: 5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox an-2-yl]-2-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan -2-yl]oxyphenyl]chromen-4-one
• Synonyms: 5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox an-2-yl]-2-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan -2-yl]oxyphenyl]chromen-4-one;isosaponarin;Isosaponaretin
• CAS NO: 19416-87-6
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.52
• Mol File: 19416-87-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 970.8°Cat760mmHg
• Flash Point: 322.4°C
• Appearance: /
• Density: 1.723±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.728
• PKA: 5.91±0.40(Predicted)
• CAS DataBase Reference: 5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox an-2-yl]-2-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan -2-yl]oxyphenyl]chromen-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox an-2-yl]-2-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan -2-yl]oxyphenyl]chromen-4-one(19416-87-6)
• EPA Substance Registry System: 5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox an-2-yl]-2-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan -2-yl]oxyphenyl]chromen-4-one(19416-87-6)

Safety Data

• Hazardous Substances Data: 19416-87-6(Hazardous Substances Data)

Usage

General Description

The chemical 5,7-dihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one, also known as quercetin 3-O-rutinoside, is a flavonoid compound found in various fruits, vegetables, and grains. It possesses antioxidant, anti-inflammatory, and anticancer properties, and has been studied for its potential therapeutic effects on cardiovascular diseases, diabetes, and neurodegenerative disorders. Quercetin 3-O-rutinoside has also been investigated for its ability to modulate immune function and protect against oxidative stress, making it a subject of interest in the field of natural medicine and pharmacology.

InChI:InChI=1/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

Synthetic route

7-O-trans-sinapoylisovitexin 4'-O-β-D-glucopyranoside → 4′-(β-D-glucopyranosyloxy)-5,7-dihydroxy-6-β-D-glucopyranosylflavone (19416-87-6)

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 0.5h;	3.5 mg

7-O-trans-sinapoylisovitexin 4'-O-(6-O-trans-sinapoyl-β-D-glucopyranoside) → 4′-(β-D-glucopyranosyloxy)-5,7-dihydroxy-6-β-D-glucopyranosylflavone (19416-87-6)

Conditions	Yield
With potassium hydroxide	0.5 mg

Relevant articles and documents

Five novel flavonoids from Wasabia japonica

From the fresh leaves of Wasabia japonica Matsum., five novel flavonoids 1-5, isovitexin derivatives having a trans-sinapoyl group at C-7, were isolated together with five known flavonoids, and their structures were elucidated on the basis of their spectroscopic data (NMR, MS, UV, and IR) and chemical evidence.