Pabularinone

Base Information

• Chemical Name: Pabularinone
• CAS No.: 4889-31-0
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.284
• UNII: A6C71BMQ2P
• ChEMBL ID: CHEMBL1725773
• Nikkaji Number: J13.396E
• Wikidata: Q27896147
• Mol file: 4889-31-0.mol

Synonyms:isoheraclenin;Pabularinone;Isooxyimperatorin;Imperatorin oxide;A6C71BMQ2P;4889-31-0;UNII-A6C71BMQ2P;9-(3-Methyl-2-oxobutoxy)-7H-furo(3,2-g)(1)benzopyran-7-one;5-Benzofuranacrylic acid, 6-hydroxy-7-(3-methyl-2-oxobutoxy)-, delta-lactone;MLS002472924;CHEMBL1725773;HMS2270H06;SMR001397035;Q27896147;5-BENZOFURANACRYLIC ACID, 6-HYDROXY-7-(3-METHYL-2-OXOBUTOXY)-, .DELTA.-LACTONE

Chemical Property of Pabularinone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 129.59000
• Density: 1.34g/cm³
• LogP: 3.45120
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 456

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

Technology Process of Pabularinone

There total 1 articles about Pabularinone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ isoheraclenin (4889-31-0)

Guidance literature:

Prangenin, 10percent H2SO4;