Emericellin

Base Information

• Chemical Name: Emericellin
• CAS No.: 55812-93-6
• Deprecated CAS: 55062-37-8
• Molecular Formula: C25H28O5
• Molecular Weight: 408.4868
• UNII: W1D56SC6FA
• DSSTox Substance ID: DTXSID80204403
• Nikkaji Number: J11.849D
• Wikidata: Q27133329
• Metabolomics Workbench ID: 63418
• ChEMBL ID: CHEMBL525537
• Mol file: 55812-93-6.mol

Synonyms:Emericellin;Variecoxanthone B;55812-93-6;W1D56SC6FA;CHEBI:64512;8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one;8-hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methylbut-2-en-1-yl)-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one;9H-Xanthen-9-one, 8-hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-butenyl)-2-((3-methyl-2-butenyl)oxy)-;9H-Xanthen-9-one, 8-hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-butenyl)-2-[(3-methyl-2-butenyl)oxy]-;UNII-W1D56SC6FA;CHEMBL525537;DTXSID80204403;Q27133329;8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-5-(3-METHYL-2-BUTEN-1-YL)-2-((3-METHYL-2-BUTEN-1-YL)OXY)-9H-XANTHEN-9-ONE;9H-XANTHEN-9-ONE, 8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-5-(3-METHYL-2-BUTEN-1-YL)-2-((3-METHYL-2-BUTEN-1-YL)OXY)-

Chemical Property of Emericellin

Chemical Property:

• Vapor Pressure: 2.25E-15mmHg at 25°C
• Boiling Point: 602.6°Cat760mmHg
• Flash Point: 204.1°C
• PSA: 79.90000
• Density: 1.196g/cm³
• LogP: 5.30620
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 408.19367399
• Heavy Atom Count: 30
• Complexity: 661

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1OCC=C(C)C)CO)C(=O)C3=C(C=CC(=C3O2)CC=C(C)C)O

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