CID 5459293

Base Information

• Chemical Name: CID 5459293
• CAS No.: 173693-50-0
• Molecular Formula: C27H34O8
• Molecular Weight: 486.5541
• DSSTox Substance ID: DTXSID90420071
• Wikidata: Q82231333
• Metabolomics Workbench ID: 143796
• Mol file: 173693-50-0.mol

Synonyms:xyloccensin K

Chemical Property of CID 5459293

Chemical Property:

• Vapor Pressure: 1.08E-16mmHg at 25°C
• Boiling Point: 629.1°Cat760mmHg
• Flash Point: 334.3°C
• Density: 1.33g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 486.22536804
• Heavy Atom Count: 35
• Complexity: 992

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C2(C3CCC4(C(OC(=O)CC4(C35CC(C1O5)C2=O)O)C6=COC=C6)C)C)CC(=O)OC)C
• Isomeric SMILES: C[C@@]12CC[C@H]3[C@]4([C@@]1(CC(=O)O[C@H]2C5=COC=C5)O)C[C@@H]6C(O4)C([C@@H](C3(C6=O)C)CC(=O)OC)(C)C