Chamissonin diacetate

Base Information

• Chemical Name: Chamissonin diacetate
• CAS No.: 24112-95-6
• Molecular Formula: C19H24 O6
• Molecular Weight: 348.3903
• ChEMBL ID: CHEMBL250348
• DSSTox Substance ID: DTXSID501105018
• Nikkaji Number: J2.769.737B
• Wikidata: Q27106139
• Mol file: 24112-95-6.mol

Synonyms:Chamissonin diacetate;24112-95-6;CHEBI:3575;CHEMBL250348;C09356;DTXSID501105018;[(3aR,4R,5E,7R,9E,11aS)-4-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-7-yl] acetate;Q27106139;(3aR,4R,5E,7R,9E,11aS)-4,7-Bis(acetyloxy)-3a,4,7,8,11,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

Chemical Property of Chamissonin diacetate

Chemical Property:

• Vapor Pressure: 1.55E-09mmHg at 25°C
• Boiling Point: 484.3°C at 760 mmHg
• Flash Point: 211.7°C
• PSA: 78.90000
• Density: 1.17g/cm³
• LogP: 2.63400
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 348.15728848
• Heavy Atom Count: 25
• Complexity: 657

Purity/Quality:

CHAMMISSONIN DIACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(C(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C)C)OC(=O)C
• Isomeric SMILES: C/C/1=C\C[C@H](/C(=C/[C@H]([C@H]2[C@H](C1)OC(=O)C2=C)OC(=O)C)/C)OC(=O)C