Danshenol A

Base Information

• Chemical Name: Danshenol A
• CAS No.: 189308-08-5
• Molecular Formula: C21H20O4
• Molecular Weight: 336.3811
• DSSTox Substance ID: DTXSID20172334
• Nikkaji Number: J821.347J
• Wikidata: Q83042436
• Metabolomics Workbench ID: 127594
• ChEMBL ID: CHEMBL2261306
• Mol file: 189308-08-5.mol

Synonyms:danshenol A

Chemical Property of Danshenol A

Chemical Property:

• Vapor Pressure: 6.74E-14mmHg at 25°C
• Boiling Point: 571.5°C at 760 mmHg
• Flash Point: 206.6°C
• PSA: 63.60000
• Density: 1.31g/cm³
• LogP: 3.27500
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 336.13615911
• Heavy Atom Count: 25
• Complexity: 636

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

DanshenolA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
• Isomeric SMILES: C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O