Cycloheterophyllin

Base Information

• Chemical Name: Cycloheterophyllin
• CAS No.: 36545-53-6
• Molecular Formula: C30H30 O7
• Molecular Weight: 502.55
• DSSTox Substance ID: DTXSID20957840
• Nikkaji Number: J17.414I
• Wikidata: Q72459551
• Metabolomics Workbench ID: 24004
• ChEMBL ID: CHEMBL461820
• Mol file: 36545-53-6.mol

Synonyms:cycloheterophyllin

Chemical Property of Cycloheterophyllin

Chemical Property:

• Vapor Pressure: 9.91E-23mmHg at 25°C
• Boiling Point: 741.4°Cat760mmHg
• Flash Point: 246.3°C
• PSA: 109.36000
• Density: 1.38g/cm³
• LogP: 6.66940
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 502.19915329
• Heavy Atom Count: 37
• Complexity: 1040

Purity/Quality:

Analysis control,HPLC≥96.0% ^*data from raw suppliers

Cycloheterophyllin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=CC(=C(C=C54)O)O)C=C(C)C)O)C=CC(O2)(C)C)C