Danshenol B

Base Information

• Chemical Name: Danshenol B
• CAS No.: 189308-09-6
• Molecular Formula: C22H26O4
• Molecular Weight: 354.4394
• DSSTox Substance ID: DTXSID80172335
• Nikkaji Number: J821.348H
• Wikidata: Q83042437
• Metabolomics Workbench ID: 127595
• ChEMBL ID: CHEMBL2261307
• Mol file: 189308-09-6.mol

Synonyms:danshenol B

Chemical Property of Danshenol B

Chemical Property:

• Vapor Pressure: 7.19E-11mmHg at 25°C
• Boiling Point: 501.3°Cat760mmHg
• Flash Point: 172.9°C
• PSA: 63.60000
• Density: 1.24g/cm³
• LogP: 3.42730
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 354.18310931
• Heavy Atom Count: 26
• Complexity: 676

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

DanshenolB ≥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=C3CCCC4(C)C)(CC(=O)C)O
• Isomeric SMILES: C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O