Astrapterocarpan

Base Information

• Chemical Name: Astrapterocarpan
• CAS No.: 73340-41-7
• Molecular Formula: C17H16O5
• Molecular Weight: 300.31
• DSSTox Substance ID: DTXSID901248967
• Metabolomics Workbench ID: 22780
• Nikkaji Number: J451.760A
• Wikidata: Q27155029
• Mol file: 73340-41-7.mol

Synonyms:73340-41-7;Methylnissolin;3-Hydroxy-9,10-dimethoxyptercarpan;Astrapterocarpan;(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol;(6aR,11aR)-3-Hydroxy-9,10-dimethoxypterocarpan;10-Methoxymedicarpin;SCHEMBL25824259;CHEBI:81072;(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol;DTXSID901248967;HY-N2484;MFCD08061495;AKOS030530357;AC-34598;MS-24325;XM173149;CS-0022755;C17416;Q27155029;Medicarpin;(6ar,11ar)-9,10-dimethoxy6a,11a-dihydro-6h-benzofurano [3,2-c]chromen-3-ol

Chemical Property of Astrapterocarpan

Chemical Property:

• Boiling Point: 428.9±45.0 °C(Predicted)
• PKA: 9.44±0.20(Predicted)
• PSA: 57.15000
• Density: 1.312
• LogP: 3.01910
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 300.09977361
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

97% ^*data from raw suppliers

3-Hydroxy-9,10-dimethoxyptercarpan 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)OC
• Isomeric SMILES: COC1=C(C2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O)OC