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(-)-Gallocatechin gallate

(-)-Gallocatechin gallate structure

CAS No:
4233-96-9
Formula:
C22H18O11
Chemical Name:
(-)-Gallocatechin gallate
Synonyms:
Benzoic acid,3,4,5-trihydroxy-,(2S,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester;Gallocatechol,3-gallate,(-)-;Benzoic acid,3,4,5-trihydroxy-,3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester,(2S-trans)-;Gallic acid,ester with gallocatechol,(-);(-)-Gallocatechin gallate;(-)-Gallocatechol gallate;(-)-Gallocatechin 3-O-gallate;NVP-XAA 225;(-)-Gallocatechin 3-gallate;L-GCG
Categories:
Biochemical Engineering > Biosynthetic Natural Products

Description

(-)-Gallocatechin gallate is the polyphenol isolated from tea, with cancer-preventive activities.

(-)-gallocatechin gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, a human xenobiotic metabolite, an antineoplastic agent and a plant metabolite. It is a gallate ester, a polyphenol and a catechin. It derives from a (-)-gallocatechin and a gallic acid. It is an enantiomer of a (+)-gallocatechin gallate.

(-)-Gallocatechin gallate Basic Attributes

Molecular Weight：

458.37

Exact Mass：

458.37

EC Number：

2017-001-1

UNII：

IRW3C4Y31Q

DSSTox ID：

DTXSID20195144

HScode：

29329990

Characteristics

PSA：

197

XLogP3：

2.08

Density：

1.9±0.1 g/cm3

Boiling Point：

909.1±65.0 °C at 760 mmHg

Flash Point：

320.0±27.8 °C

Refractive Index：

1.857

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-26/36

RTECS Number：

DH9000000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

gallocatechin gallate

(-)-Gallocatechin gallate Use and Manufacturing

An antioxidant

Computed Properties

Molecular Weight:458.4
XLogP3:1.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:458.08491139
Monoisotopic Mass:458.08491139
Topological Polar Surface Area:197
Heavy Atom Count:33
Complexity:667
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(-)-Gallocatechin gallate

CAS No.: 4233-96-9

Content: 99.00%

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CAS No.: 4233-96-9

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Learn More Other Chemicals

Tetradecyl gallate

18244-73-0
Dodecyl gallate

1166-52-5
Octadecyl gallate

10361-12-3
Isoamyl gallate Formula

2486-02-4
Isobutyl gallate Formula

3856-05-1
Epicatechin gallate Formula

863-03-6
Propyl gallate Structure

121-79-9
Ethyl gallate Structure

831-61-8
What is Methyl gallate

99-24-1
What is (-)-Catechin gallate

130405-40-2

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Guide of (-)-Gallocatechin gallate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(-)-Gallocatechin gallate

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