Chaparrolide

Base Information

• Chemical Name: Chaparrolide
• CAS No.: 33512-38-8
• Molecular Formula: C20H30O6
• Molecular Weight: 366.4486
• DSSTox Substance ID: DTXSID10331630
• Nikkaji Number: J34.297A
• Wikidata: Q27106142
• Metabolomics Workbench ID: 68941
• ChEMBL ID: CHEMBL2314661
• Mol file: 33512-38-8.mol

Synonyms:Chaparrolide;33512-38-8;CHEBI:3579;CHEMBL2314661;C08758;(1R,2S,3S,4S,6R,7S,9R,13S,14R,15S,17S)-3,4,15-trihydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-11,16-dione;AC1L9BO1;DTXSID10331630;Q27106142

Chemical Property of Chaparrolide

Chemical Property:

• Vapor Pressure: 9.86E-15mmHg at 25°C
• Boiling Point: 557.1°Cat760mmHg
• Flash Point: 195.6°C
• PSA: 104.06000
• Density: 1.267g/cm³
• LogP: 0.90810
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 366.20423867
• Heavy Atom Count: 26
• Complexity: 648

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(C2(C1CC3C4(C2C(=O)C(C(C4CC(=O)O3)C)O)C)C)O)O
• Isomeric SMILES: C[C@@H]1C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)[C@H]([C@@H]([C@@H]4CC(=O)O3)C)O)C)C)O)O