Echinone

Base Information

• Chemical Name: Echinone
• CAS No.: 80348-65-8
• Molecular Formula: C₁₉H₂₀O₆
• Molecular Weight: 344.364
• DSSTox Substance ID: DTXSID70230256
• Nikkaji Number: J185.426G
• Wikidata: Q27106465
• Metabolomics Workbench ID: 68229
• Mol file: 80348-65-8.mol

Synonyms:Echinone;80348-65-8;C10338;[(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate;1,4-Naphthalenedione, 6-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-;AC1L4IDY;CHEBI:4748;DTXSID70230256;Q27106465;(-)-6-[(S)-1-Acetoxy-4-methyl-3-pentenyl]-8-hydroxy-5-methoxy-1,4-naphthalenedione;6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione

Chemical Property of Echinone

Chemical Property:

• Vapor Pressure: 6.48E-12mmHg at 25°C
• Boiling Point: 531.5°Cat760mmHg
• Flash Point: 189.3°C
• PSA: 89.90000
• Density: 1.254g/cm³
• LogP: 3.29650
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 344.12598835
• Heavy Atom Count: 25
• Complexity: 601

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C
• Isomeric SMILES: CC(=CC[C@@H](C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C