Praeruptorin C

Base Information

• Chemical Name: Praeruptorin C
• CAS No.: 72463-77-5
• Molecular Formula: C24H28 O7
• Molecular Weight: 428.47500
• DSSTox Substance ID: DTXSID101100692
• Wikidata: Q105272141
• Mol file: 72463-77-5.mol

Synonyms:2-methyl-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b)dipyran-9-ol ester of 2-butenolc acid;praeruptorin C;praeruptorine C

Chemical Property of Praeruptorin C

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 132-134oC
• Boiling Point: 516.526oC at 760 mmHg
• Flash Point: 221.379oC
• PSA: 92.04000
• Density: 1.228g/cm3
• LogP: 4.47240
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 428.18350323
• Heavy Atom Count: 31
• Complexity: 779

Purity/Quality:

95%-98% ^*data from raw suppliers

PraeruptorinC >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C

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