Thonningianin A

Basic Information

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CAS Number

271579-11-4

Molecular Formula

C42H34O21

Molecular Weight

874.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Solubility

Insuluble (5.5E-4 g/L) (25 ºC),

SMILES

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C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2

InChIKey

XQVKQEFQGYTUAR-UHFFFAOYSA-N

LogP

3.0169000000000104

Topological Polar Surface Area

357.19000000000005 Å²

Hydrogen Bond Donor/Acceptor

12 / 21

Complexity

1590

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Thonningianin A
Pinocembrin dihydrochalcone 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-beta-D-glucoside
Q27134767

MDL Number

MFCD30725006

FAQ

What is Thonningianin A (CAS: 271579-11-4)?

Thonningianin A is a natural compound with a complex chemical structure. Its CAS number is 271579-11-4. Thonningianin A is characterized by its unique chemical properties and potential biological activities.

What are the main uses of Thonningianin A (CAS: 271579-11-4)?

Thonningianin A is mainly used in research for its potential biological activities. Its specific applications include studies on pharmacology and natural product chemistry. Further industrial uses are being explored.

Is Thonningianin A (CAS: 271579-11-4) safe?

Thonningianin A is considered safe for laboratory use when proper safety measures are followed. However, it is advisable to handle it with gloves and in a well-ventilated area to avoid skin contact and inhalation. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should Thonningianin A (CAS: 271579-11-4) be stored?

Thonningianin A should be stored in a cool, dry place away from direct sunlight. It is best kept in a tightly sealed container to prevent degradation. Store at room temperature, ideally between 15-25°C, and avoid exposure to moisture and high humidity.