Thunberginol C

Base Information

• Chemical Name: Thunberginol C
• CAS No.: 147517-06-4
• Molecular Formula: C15H12 O5
• Molecular Weight: 272.25
• UNII: X3P5X86ZBF
• DSSTox Substance ID: DTXSID00438304
• Nikkaji Number: J514.557K
• Wikipedia: Thunberginol_C
• Wikidata: Q7798880
• Metabolomics Workbench ID: 143452
• ChEMBL ID: CHEMBL69267
• Mol file: 147517-06-4.mol

Synonyms:THUNBERGINOL C;147517-06-4;Thunbergil C;6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one;X3P5X86ZBF;6,8-dihydroxy-3-(4-hydroxyphenyl)isochroman-1-one;1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-;3,4-Dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one;1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(4-hydroxyphenyl)-, (+/-)-;UNII-X3P5X86ZBF;CHEMBL69267;SCHEMBL23067798;DTXSID00438304;BCP23561;HY-N1151;AKOS032948792;FS-10392;CS-0016441;Q7798880;NCGC00385856-01!6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

Chemical Property of Thunberginol C

Chemical Property:

• Boiling Point: 595.8±50.0 °C(Predicted)
• PKA: 8.07±0.40(Predicted)
• PSA: 86.99000
• Density: 1.485±0.06 g/cm3(Predicted)
• LogP: 2.25760
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.06847348
• Heavy Atom Count: 20
• Complexity: 363

Purity/Quality:

98%min ^*data from raw suppliers

ThunberginolC ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC=C(C=C3)O