Spirostane-3,6-dione

Base Information

• Chemical Name: Spirostane-3,6-dione
• CAS No.: 3514-59-8
• Molecular Formula: C₂₇H₄₀O₄
• Molecular Weight: 428.612
• Wikidata: Q104958388
• Mol file: 3514-59-8.mol

Synonyms:Spirostane-3,6-dione;Chlorogenone;CHEBI:175478;5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-dione

Chemical Property of Spirostane-3,6-dione

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 428.29265975
• Heavy Atom Count: 31
• Complexity: 807

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6C5(CCC(=O)C6)C)C)C)OC1