O-Deacetylpropionyl cavernulin

Base Information

• Chemical Name: O-Deacetylpropionyl cavernulin
• CAS No.: 90052-73-6
• Molecular Formula: C30H44O10
• Molecular Weight: 564.6644
• Mol file: 90052-73-6.mol

Synonyms:O-Deacetylpropionyl cavernulin;90052-73-6

Chemical Property of O-Deacetylpropionyl cavernulin

Chemical Property:

• Vapor Pressure: 1.88E-19mmHg at 25°C
• Boiling Point: 646.6°Cat760mmHg
• Flash Point: 199.8°C
• Density: 1.22g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 564.29344760
• Heavy Atom Count: 40
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC1CCC(=CC2C(C(C(=O)O2)C)(C(C3C1(C(C(C=C3C)OC(=O)C)OC(=O)C)C)O)O)C
• Isomeric SMILES: CCCCCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H]([C@@H](C=C3C)OC(=O)C)OC(=O)C)C)O)O)/C