Cyathin A3

Base Information

• Chemical Name: Cyathin A3
• CAS No.: 38598-35-5
• Molecular Formula: C20H30O3
• Molecular Weight: 318.4504
• DSSTox Substance ID: DTXSID90331719
• Nikkaji Number: J2.519.051C
• Wikidata: Q27106279
• Metabolomics Workbench ID: 69087
• Mol file: 38598-35-5.mol

Synonyms:cyathin A(3);cyathin A3

Chemical Property of Cyathin A3

Chemical Property:

• Vapor Pressure: 4.04E-11mmHg at 25°C
• Boiling Point: 477.4°Cat760mmHg
• Flash Point: 256.6°C
• PSA: 57.53000
• Density: 1.13g/cm³
• LogP: 3.40780
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 318.21949481
• Heavy Atom Count: 23
• Complexity: 586

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C2C3CC(C(=CC(=O)C3(CCC2(CC1)C)C)CO)O
• Isomeric SMILES: CC(C)C1=C2[C@H]3C[C@H](C(=CC(=O)[C@@]3(CC[C@]2(CC1)C)C)CO)O