(-)-ECG-3''-O-ME

Basic Information

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CAS Number

83104-86-3

Molecular Formula

C23H20O10

Molecular Weight

456.4 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

Physical State

Powder

Density

1.69±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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COC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O

InChI

InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3

InChIKey

XGTBMCGGGJLOPS-UHFFFAOYSA-N

LogP

2.830600000000003

Topological Polar Surface Area

166.14 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Synonyms & References

English

Benzoic acid,3,4-dihydroxy-5-methoxy-,(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester
(-)-Epicatechin-3-(3''-O-methyl) gallate
(-)-ECG-3''-O-ME
(-)-(2R,3R)-5,7-dihydroxy-2-(3',4'-dihydroxy-phenyl)-chroman-3-yl 3'',4''-dihydroxy-5''-methoxybenzoate
(-)-3''-Me-ECG
(-)-EPICATECHIN 3-(3'-O-METHYL)GALLATE
(-)-epicatechin 3-O-(3'-O-methyl)-gallate
(-)-epicatechin gallate-3''-O-Me
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4-dihydroxy-5-methoxybenzoate
(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3-yl 3,4-dihydroxy-5-methoxybenzoate
(-)-Epicatechin 3-(3''-O-methyl)gallate
3,4-Dihydroxy-5-methoxy-benzoic acid (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester

MDL Number

MFCD06799448

FAQ

What regulatory guidelines apply to (-)-ECG-3''-O-ME (CAS: 83104-86-3)?

The (-)-ECG-3''-O-ME (CAS: 83104-86-3) falls under regulatory guidelines such as REACH in the EU and ECHA's database. It must comply with GHS classification for hazardous substances, and FDA regulations for pharmaceutical applications. EPA guidelines also apply for environmental protection and safe handling practices.

Are there alternatives to (-)-ECG-3''-O-ME (CAS: 83104-86-3) in synthesis?

Alternatives to (-)-ECG-3''-O-ME (CAS: 83104-86-3) in synthesis include using (-)-epicatechin gallate isomers or other flavonoids. Common alternatives include using reagents like acetyl chloride or other methylation agents that provide similar functionalities.

What is the market or research trend for (-)-ECG-3''-O-ME (CAS: 83104-86-3)?

The market for (-)-ECG-3''-O-ME (CAS: 83104-86-3) is growing due to its potential health benefits, particularly in cancer research and as an antioxidant. Research trends focus on its pharmacological properties and applications in functional foods and nutraceuticals. The trend shows increasing demand among pharmaceutical and dietary supplement industries.

How should waste containing (-)-ECG-3''-O-ME (CAS: 83104-86-3) be handled?

Waste containing (-)-ECG-3''-O-ME (CAS: 83104-86-3) should be collected in appropriate containers and stored separately. Incineration is a common method for disposal, but professional waste disposal services are recommended for safe handling. Ensure all waste is treated according to local and international regulations to prevent environmental contamination.