(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid

Basic Information

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CAS Number

115841-09-3

Molecular Formula

C26H20O10

Molecular Weight

492.44 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

Solubility

,DMSO,Methanol,Acetontrile

SMILES

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C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O

InChI

InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1

InChIKey

GCJWPRRNLSHTRY-VURDRKPISA-N

LogP

3.8801000000000054

Topological Polar Surface Area

177.89 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

802

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

CHEMBL4077922
Salvianolicacid C
CHEBI:140104
AKOS026674262
BS-50422
Q27280236
MFCD16660675
(R,E)-3-(3,4-Dihydroxyphenyl)-2-((3-(2-(3,4-dihydroxyphenyl)-7-hydroxybenzofuran-4-yl)acryloyl)oxy)propanoicacid
BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4-BENZOFURANYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-
115841-09-3
Benzenepropanoic acid, alpha-[[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (alphaR)-
I16H9Z53ZL
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid
DTXSID101341785
UNII-I16H9Z53ZL
(R,E)-3-(3,4-Dihydroxyphenyl)-2-((3-(2-(3,4-dihydroxyphenyl)-7-hydroxybenzofuran-4-yl)acryloyl)oxy)propanoic acid
Salvianolic acid C
CS-0008886
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]prop-2-enoyl]oxy-propanoic acid
BDBM50233805
Benzenepropanoic acid, alpha-(((2E)-3-(2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl)-1-oxo-2-propen-1-yl)oxy)-3,4-dihydroxy-, (alphaR)-
HY-N0319
SCHEMBL19236216
AC-34154
Salvianolic-acid-C
(alphaR)-alpha-[[(2E)-3-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid
C26H20O10
Benzenepropanoic acid, alpha-[[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-di
(2R)-3-(3,4-dihydroxyph

MDL Number

MFCD16660675

FAQ

What is (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 115841-09-3)?

This compound, with CAS number 115841-09-3, is a complex organic molecule featuring a propanoic acid backbone substituted with multiple hydroxy groups and a benzofuran ring. Its structure includes chiral centers (2R) and conjugated double bonds (2E), contributing to its potential biological activity. It is often studied in pharmaceutical research for its antioxidant and anti-inflammatory properties due to the presence of phenolic and furan functionalities.

What are the main uses of (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 115841-09-3)?

This compound is primarily used in pharmaceutical research for developing drugs targeting neurological disorders and inflammation. It serves as a key intermediate in synthesizing bioactive molecules and is also explored in medicinal chemistry for its potential antioxidant properties. Applications include drug discovery, biochemical studies, and industrial chemical synthesis.

Is (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 115841-09-3) safe?

The safety of this compound depends on exposure conditions. While it is generally considered safe in controlled environments, proper handling is essential. Precautions include wearing gloves, goggles, and lab coats to avoid skin or eye contact, and ensuring adequate ventilation. Safety data sheets (SDS) should be consulted for detailed toxicity information and regulatory compliance.

How should (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 115841-09-3) be stored?

Store this compound in a cool, dry place (ideally 2-8°C), away from light and moisture. Use airtight, dark-colored containers to maintain stability. Avoid exposure to air and heat to prevent degradation. Proper storage ensures chemical integrity and prolongs shelf life, as recommended by safety and quality standards.