Kuwanon K

Base Information

• Chemical Name: Kuwanon K
• CAS No.: 88524-66-7
• Molecular Formula: C40H36O11
• Molecular Weight: 692.7072
• DSSTox Substance ID: DTXSID40237111
• Nikkaji Number: J2.455.905J
• Metabolomics Workbench ID: 144126
• Mol file: 88524-66-7.mol

Synonyms:Kuwanon K;(-)-Kuwanon K;88524-66-7;4H-1-Benzopyran-4-one, 2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-;DTXSID40237111;E80746;2,3-Didehydro-3-(3-methyl-2-butenyl)kuwanon L;4H-1-Benzopyran-4-one, 2-(3-(6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, (1S-(1alpha,5alpha,6beta))-

Chemical Property of Kuwanon K

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 969.2°Cat760mmHg
• Flash Point: 302.8°C
• Density: 1.446g/cm³
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 692.22576196
• Heavy Atom Count: 51
• Complexity: 1380

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)C5=C(C(=O)C6=C(C=C(C=C6O5)O)O)CC=C(C)C)O
• Isomeric SMILES: CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)C5=C(C(=O)C6=C(C=C(C=C6O5)O)O)CC=C(C)C)O