Gossypol

Base Information

• Chemical Name: Gossypol
• CAS No.: 20300-26-9
• Deprecated CAS: 732279-01-5,40112-23-0,123732-23-0,40112-23-0
• Molecular Formula: C30H30 O8
• Molecular Weight: 518.60
• European Community (EC) Number: 636-899-7
• NSC Number: 728875,726190,624336,56817
• UNII: 8DY2X8LXW4,XNA7DR63CQ,KAV15B369O
• DSSTox Substance ID: DTXSID5023110
• Nikkaji Number: J126.059F,J2.536.108C,J2.536.109A,J858.559H,J21.393D
• Wikipedia: Gossypol
• Wikidata: Q411882
• NCI Thesaurus Code: C529
• Pharos Ligand ID: 729J55RF7KWH
• Metabolomics Workbench ID: 28312
• ChEMBL ID: CHEMBL51483
• Mol file: 20300-26-9.mol

Synonyms:Dipotassium Salt, Gossypol;Gossypol;Gossypol Dipotassium Salt;Gossypol Sodium Salt;Gossypol, (+)-Isomer;Gossypol, (+-)-Isomer;Gossypol, (-)-Isomer;Sodium Salt, Gossypol

Chemical Property of Gossypol

Chemical Property:

• Melting Point: 181-184°
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 707.9 °C at 760 mmHg
• Flash Point: 395.9 °C
• PSA: 155.52000
• Density: 1.403 g/cm³
• LogP: 6.38220
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 518.19406791
• Heavy Atom Count: 38
• Complexity: 780

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-GOSSYPOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
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