9-Hydroxycalabaxanthone

Base Information

• Chemical Name: 9-Hydroxycalabaxanthone
• CAS No.: 35349-68-9
• Molecular Formula: C24H24O6
• Molecular Weight: 408.451
• DSSTox Substance ID: DTXSID301318384
• Nikkaji Number: J789.600J
• Wikidata: Q72483450
• Pharos Ligand ID: 1ZHGNAPDF41Q
• Metabolomics Workbench ID: 45185
• ChEMBL ID: CHEMBL561643
• Mol file: 35349-68-9.mol

Synonyms:9-Hydroxycalabaxanthone;35349-68-9;Mangostanin;Xanthone I;5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one;CHEMBL561643;HYDROXYCALABAXANTHONE, 9-;5,9-Dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)pyrano[3,2-b]xanthen-6(2H)-one;5,9-Dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-2H,6H-pyrano[3,2-b]xanthen-6-one;6-Hydroxycalabaxanthone;D01WTQ;SCHEMBL5617031;CHEBI:190826;DTXSID301318384;HY-N2795;BDBM50311741;AKOS032962410;MS-27014;CS-0023322;Q-100424;B0005-190086;1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6'',6''-dimethylpyrano(2'',3'':3,2)xanthone;2H,6H-Pyrano[3,2-b]xanthen-6-one, 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-;5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,6-dihydro-1,11-dioxatetracen-6-one;5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-2h,6h-pyrano-[3,2-b]-xanthene-6-one

Chemical Property of 9-Hydroxycalabaxanthone

Chemical Property:

• Melting Point: 155-157 °C
• Boiling Point: 617.6±55.0 °C(Predicted)
• PKA: 6.46±0.40(Predicted)
• PSA: 89.13000
• Density: 1.277±0.06 g/cm3(Predicted)
• LogP: 5.05890
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 408.15728848
• Heavy Atom Count: 30
• Complexity: 723

Purity/Quality:

98%min ^*data from raw suppliers

9-Hydroxycalabaxanthone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C