1,3-Dicaffeoylquinic acid

Basic Information

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CAS Number

19870-46-3

Molecular Formula

C25H24O12

Molecular Weight

516.46 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

819.9 ℃ at 760 mmHg

Density

1.64

Flash Point

819.9 °C at 760 mmHg

Solubility

soluble5mg/mL, clear, colorless to light yellow

SMILES

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O=C([C@@]1(OC(/C=C/C2=CC=C(O)C(O)=C2)=O)C[C@@H](OC(/C=C/C3=CC=C(O)C(O)=C3)=O)[C@H](O)[C@H](O)C1)O

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

InChIKey

YDDUMTOHNYZQPO-PSEXTPKNSA-N

LogP

1.0295999999999994

Topological Polar Surface Area

211.27999999999997 Å²

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

887

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

1,3-Dicaffeoylquinic acid
Dicaffeoylquinic Acid, 1,5-
1,3-O-Dicaffeoylquinic acid
1,5-Dicaffeoylquinic acid
1,5-O-Dicaffeoylquinic acid
1,3-di-O-Caffeoylquinic acid
1,5-di-O-Caffeoylquinic acid
Cynarin
Cynarine
(1S,3R,4R,5R)-1,3-Bis[3-(3,4-dihydroxyphenyl)acryloyloxy]-4,5-dihydroxycyclohexanecarboxylic acid
(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxy-cyclohexanecarboxylic acid
1,5-Dicaffeoylquinic-acid
1,3-Dicaffeoyl quinic acid
1,5-Dicaffeoylquinic acid?
1,5-DCQA
SCHEM
1,3-O-Dicaffeoylquinic acid,1,3-Dicaffeoylquinic acid,1,5-Dicaffeoylquinic acid

MDL Number

MFCD13196505

FAQ

What is 1,3-Dicaffeoylquinic acid (CAS: 19870-46-3)?

1,3-Dicaffeoylquinic acid is a natural polyphenolic compound with the chemical formula C20H18O11. It is a type of dicaffeoylquinic acid, which is found in various plants, particularly in the plant family Asteraceae. It is characterized by its antioxidant and anti-inflammatory properties.

What are the main uses of 1,3-Dicaffeoylquinic acid (CAS: 19870-46-3)?

1,3-Dicaffeoylquinic acid is used in pharmaceuticals for its potential anti-inflammatory and antioxidant effects. It is also studied for its potential applications in food additives for health benefits and as a research compound in biological and medicinal research.

Is 1,3-Dicaffeoylquinic acid (CAS: 19870-46-3) safe?

1,3-Dicaffeoylquinic acid is generally considered safe based on current research. However, it is important to follow safety guidelines, including proper handling and storage, to avoid any potential skin irritation or other adverse reactions. Always consult with a professional for detailed safety information.

How should 1,3-Dicaffeoylquinic acid (CAS: 19870-46-3) be stored?

1,3-Dicaffeoylquinic acid should be stored in a cool, dry place away from direct sunlight. Maintain it in a tightly sealed container to prevent degradation. Store it at room temperature (15-25°C) and protect from humidity and moisture to ensure its stability and purity.