9,11-Dihydroxy-3,3-dimethyl-10-(3-methyl-but-2-enyl)-3H-pyrano(3,2-a)xanthen-12-one

Base Information

• Chemical Name: 9,11-Dihydroxy-3,3-dimethyl-10-(3-methyl-but-2-enyl)-3H-pyrano(3,2-a)xanthen-12-one
• CAS No.: 105037-93-2
• Molecular Formula: C₂₃H₂₂O₅
• Molecular Weight: 378.425
• DSSTox Substance ID: DTXSID30146920
• Nikkaji Number: J727.545E
• Wikidata: Q83011830
• Metabolomics Workbench ID: 122589
• ChEMBL ID: CHEMBL1171645
• Mol file: 105037-93-2.mol

Synonyms:Calothwaitesixanthone;105037-93-2;9,11-Dihydroxy-3,3-dimethyl-10-(3-methyl-but-2-enyl)-3H-pyrano(3,2-a)xanthen-12-one;9,11-Dihydroxy-3,3-dimethyl-10-(3-methyl-but-2-enyl)-3H-pyrano[3,2-a]xanthen-12-one;CHEMBL1171645;DTXSID30146920;9,11-dihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one

Chemical Property of 9,11-Dihydroxy-3,3-dimethyl-10-(3-methyl-but-2-enyl)-3H-pyrano(3,2-a)xanthen-12-one

Chemical Property:

• Vapor Pressure: 7.38E-15mmHg at 25°C
• Boiling Point: 597.2°C at 760 mmHg
• Flash Point: 210.2°C
• Density: 1.279g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 378.14672380
• Heavy Atom Count: 28
• Complexity: 677

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C3)OC(C=C4)(C)C)O)C