4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Base Information

• Chemical Name: 4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
• CAS No.: 29552-41-8
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.322
• European Community (EC) Number: 692-532-0
• DSSTox Substance ID: DTXSID30860250
• Wikipedia: Parthenolide
• Wikidata: Q27166906,Q72499560
• Metabolomics Workbench ID: 126918
• ChEMBL ID: CHEMBL2142363
• Mol file: 29552-41-8.mol

Synonyms:parthenolide;parthenolide, (1aR-(1aR*,4E,7aS*,10aS*,10bR*))-isomer

Chemical Property of 4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 394.1°Cat760mmHg
• Flash Point: 166.3°C
• PSA: 38.83000
• Density: 1.13g/cm³
• LogP: 2.76200
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 437

Purity/Quality:

99%, ^*data from raw suppliers

Parthenolide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
• Recent EU Clinical Trials: Clinical Evaluation of T.R.U.E. TEST? Panel 3.2 Allergens: Gold Sodium Thiosulfate, Hydrocortisone-17-butyrate, Methyldibromoglutaronitrile, Bacitracin, Parthenolide, Disperse Blue 106, and Bronopol