Pongapinone B

Base Information

• Chemical Name: Pongapinone B
• CAS No.: 146713-94-2
• Molecular Formula: C23H24 O6
• Molecular Weight: 396.43
• DSSTox Substance ID: DTXSID90163456
• Nikkaji Number: J497.848J
• Wikidata: Q83032344
• Metabolomics Workbench ID: 135432
• ChEMBL ID: CHEMBL455366
• Mol file: 146713-94-2.mol

Synonyms:pongapinone B

Chemical Property of Pongapinone B

Chemical Property:

• Vapor Pressure: 1.21E-13mmHg at 25°C
• Boiling Point: 584.4°Cat760mmHg
• Flash Point: 254.5°C
• PSA: 63.22000
• Density: 1.227g/cm³
• LogP: 4.64770
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 396.15728848
• Heavy Atom Count: 29
• Complexity: 615

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)CC(O2)C3=CC4=C(C=C3)OCO4)C
• Isomeric SMILES: CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC4=C(C=C3)OCO4)C

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