CID 343166

Base Information

• Chemical Name: CID 343166
• CAS No.: 90826-58-7
• Molecular Formula: C24H28O4
• Molecular Weight: 380.484
• NSC Number: 382182
• DSSTox Substance ID: DTXSID701101050
• Wikidata: Q105156473
• Mol file: 90826-58-7.mol

Synonyms:Angelicolide;90826-58-7;NSC382182;E,E'-3,3':8,8'-Diligustilide;DTXSID701101050;AKOS040760095;NSC-382182;rel-(1R,1''R,3'R,4'R)-6,6'',7,7''-Tetrahydro-3',4'-dipropyldispiro[isobenzofuran-1(3H),1'-cyclobutane-2',1''(3''H)-isobenzofuran]-3,3''-dione

Chemical Property of CID 343166

Chemical Property:

• Boiling Point: 663.4±55.0 °C(Predicted)
• Flash Point: 350.5oC
• PSA: 52.60000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 4.71700
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 380.19875937
• Heavy Atom Count: 28
• Complexity: 801

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1C(C2(C13C4=C(C=CCC4)C(=O)O3)C5=C(C=CCC5)C(=O)O2)CCC
• Isomeric SMILES: CCC[C@H]1[C@@H]([C@@]2([C@@]13C4=C(C=CCC4)C(=O)O3)C5=C(C=CCC5)C(=O)O2)CCC