Tephrowatsin A

Base Information

• Chemical Name: Tephrowatsin A
• CAS No.: 97640-79-4
• Molecular Formula: C22H26O4
• Molecular Weight: 354.4394
• DSSTox Substance ID: DTXSID90331870
• Nikkaji Number: J2.771.412I
• Wikidata: Q27108397
• Metabolomics Workbench ID: 21990
• ChEMBL ID: CHEMBL4798009

Synonyms:Tephrowatsin A;97640-79-4;(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol;C09970;CHEBI:9443;CHEMBL4798009;DTXSID90331870;LMPK12020160;Q27108397;(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol;(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol

Chemical Property of Tephrowatsin A

Chemical Property:

• Vapor Pressure: 8.95E-11mmHg at 25°C
• Boiling Point: 499°Cat760mmHg
• Flash Point: 255.6°C
• PSA: 47.92000
• Density: 1.135g/cm³
• LogP: 4.76970
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 354.18310931
• Heavy Atom Count: 26
• Complexity: 467

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C2C(=C(C=C1OC)OC)C(CC(O2)C3=CC=CC=C3)O)C
• Isomeric SMILES: CC(=CCC1=C2C(=C(C=C1OC)OC)[C@@H](C[C@H](O2)C3=CC=CC=C3)O)C

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