Callicarpenal

Base Information

• Chemical Name: Callicarpenal
• CAS No.: 161105-12-0
• Molecular Formula: C₁₆H₂₆O
• Molecular Weight: 234.382
• UNII: HX4WCL7DPK
• DSSTox Substance ID: DTXSID00455470
• Nikkaji Number: J2.215.682I
• Wikipedia: Callicarpenal
• Wikidata: Q5021997
• ChEMBL ID: CHEMBL2229006

Synonyms:13,14,15,16-tetranor-3-cleroden-12-al;callicarpenal

Chemical Property of Callicarpenal

Chemical Property:

• Boiling Point: 306.8±11.0 °C(Predicted)
• Density: 0.909±0.06 g/cm3(Predicted)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.198365449
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(C(C1(C)CC=O)CCC=C2C)C
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC=O)CCC=C2C)C

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