Salvianolic acid C

Base Information

• Chemical Name: Salvianolic acid C
• CAS No.: 115841-09-3
• Molecular Formula: C26H20 O10
• Molecular Weight: 492.43100
• UNII: I16H9Z53ZL
• ChEMBL ID: CHEMBL4077922
• DSSTox Substance ID: DTXSID101341785
• Nikkaji Number: J759.751G
• Wikidata: Q27280236
• Mol file: 115841-09-3.mol

Synonyms:benzenepropanoic acid, alpha-(((2E)-3-(2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl)-1-oxo-2-propen-1-yl)oxy)-3,4-dihydroxy-, (alphaR)-;salvianolic acid C

Chemical Property of Salvianolic acid C

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 844.216oC at 760 mmHg
• PKA: 2.76±0.10(Predicted)
• Flash Point: 464.365oC
• PSA: 177.89000
• Density: 1.571g/cm3
• LogP: 3.88010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 492.10564683
• Heavy Atom Count: 36
• Complexity: 802

Purity/Quality:

98% ^*data from raw suppliers

Salvianolic acid C ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: 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
• Isomeric SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O
• Uses: Salvianoic Acid C is found in Danshen, a well-?known traditional Chinese medicine (TCM) used to treat cardiovascular and cerebrovascular diseases.