Piperaduncin B

Base Information

• Chemical Name: Piperaduncin B
• CAS No.: 155023-55-5
• Molecular Formula: C29H30 O8
• Molecular Weight: 506.5437
• DSSTox Substance ID: DTXSID50331831
• Nikkaji Number: J2.771.226F
• Wikidata: Q27108011
• Metabolomics Workbench ID: 26943
• ChEMBL ID: CHEMBL486612
• Mol file: 155023-55-5.mol

Synonyms:2'-hydroxy-4'-methoxy-2'-(1-hydroxy-1-methylethyl)-2'',3''-dihy- drofurano(4'',5''-5',6'')-3''-(2-hydroxy-5-methoxycarbonylphenyl)dihydrochalcone;piperaduncin B

Chemical Property of Piperaduncin B

Chemical Property:

• Vapor Pressure: 1.01E-18mmHg at 25°C
• Boiling Point: 667.4°Cat760mmHg
• Flash Point: 218.4°C
• PSA: 122.52000
• Density: 1.303g/cm³
• LogP: 4.37230
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 506.19406791
• Heavy Atom Count: 37
• Complexity: 793

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1C(C2=C(C=C(C(=C2O1)C(=O)CCC3=CC=CC=C3)O)OC)C4=C(C=CC(=C4)C(=O)OC)O)O
• Isomeric SMILES: CC(C)([C@@H]1[C@H](C2=C(C=C(C(=C2O1)C(=O)CCC3=CC=CC=C3)O)OC)C4=C(C=CC(=C4)C(=O)OC)O)O