Caryoptin

Base Information

• Chemical Name: Caryoptin
• CAS No.: 50645-63-1
• Molecular Formula: C26H36O9
• Molecular Weight: 492.5586
• DSSTox Substance ID: DTXSID50331715
• Nikkaji Number: J37.177G
• Wikidata: Q105228788
• ChEMBL ID: CHEMBL2269919
• Mol file: 50645-63-1.mol

Synonyms:Caryoptin;50645-63-1;C09070;CHEMBL2269919;DTXSID50331715

Chemical Property of Caryoptin

Chemical Property:

• Boiling Point: 564.8°Cat760mmHg
• Flash Point: 239.8°C
• PSA: 109.89000
• Density: 1.27g/cm³
• LogP: 2.89950
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 492.23593272
• Heavy Atom Count: 35
• Complexity: 932

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2(C(C1(C)C3CC4C=COC4O3)CCC(C25CO5)OC(=O)C)COC(=O)C)OC(=O)C
• Isomeric SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@H]4C=CO[C@H]4O3)CC[C@H]([C@]25CO5)OC(=O)C)COC(=O)C)OC(=O)C

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