5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Basic Information

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CAS Number

84650-60-2

Molecular Formula

C22H18O11

Molecular Weight

458.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

909.1°C at 760 mmHg

Density

1.9

Flash Point

320°C

Refractive Index

1.857

SMILES

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C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2

InChIKey

WMBWREPUVVBILR-UHFFFAOYSA-N

LogP

2.2332000000000014

Topological Polar Surface Area

197.36999999999998 Å²

Hydrogen Bond Donor/Acceptor

8 / 11

Complexity

667

Synonyms & References

English

AKOS025248011
(+)-epigallocatechin gallate
[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
HMS3426I15
E80553
HMS3651I16
(?)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate
HMS3868K03
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
epigallocatechol-3-gallate
CCG-269314
NCGC00095722-01
HMS3393K21
FT-0604392
CHEBI:182308
BCP28205
BDBM50093882
Tea, ext.
DTXSID00859570
3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester
B0005-465433
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
ChEMBL_134784
84650-60-2
CHEMBL311663
107965-88-8
FT-0686614
(-)-Gallocatechin 3-O-gallate
SCHEMBL161547
VS-12292
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

MDL Number

MFCD01776961

FAQ

What is 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 84650-60-2)?

5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 84650-60-2) is a natural antioxidant compound classified as a tea polyphenol. It features a chromene core with multiple hydroxy groups, contributing to its strong antioxidant properties. This compound is commonly found in tea leaves and is valued for its ability to neutralize free radicals, making it relevant in pharmaceutical, food, and cosmetic industries. Its chemical structure enhances stability and bioavailability, supporting its use in health-related applications.

What are the main uses of 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 84650-60-2)?

This compound is primarily used in pharmaceuticals as an antioxidant and anti-inflammatory agent. In the food industry, it serves as a natural preservative and flavor enhancer. It is also incorporated into cosmetics for skin protection and anti-aging benefits. Research applications include studying its role in oxidative stress reduction. Its versatility in these sectors highlights its importance as a key component of tea polyphenols, with CAS: 84650-60-2 ensuring accurate identification for scientific and industrial use.

Is 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 84650-60-2) safe?

This compound is generally safe when used as directed, with low toxicity in typical exposure levels. However, handling precautions include avoiding direct contact with skin or inhalation of dust. Safety standards ensure its use in food and pharmaceuticals adheres to regulatory guidelines. Protective measures, such as gloves and ventilation, are recommended during industrial processing. Its natural origin and established safety profile make it a trusted component in tea polyphenol-related products.

How should 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 84650-60-2) be stored?

Store this compound in a cool, dry, and dark place to maintain stability. Keep it in a sealed container to prevent moisture and light exposure, which can degrade its potency. Ideal temperature is below 25°C, with humidity levels below 60%. Avoid direct sunlight and ensure proper ventilation. Correct storage conditions are crucial for preserving its antioxidant properties and ensuring shelf life, as noted by its CAS number 84650-60-2.