Praeruptorin C

Base Information

• Chemical Name: Praeruptorin C
• CAS No.: 83382-71-2
• Molecular Formula: C24H28O7
• Molecular Weight: 428.47
• DSSTox Substance ID: DTXSID101100692
• Wikidata: Q105272141
• Mol file: 83382-71-2.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: 8.92E-11mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 516.5 °C at 760 mmHg
• Flash Point: 221.4 °C
• PSA: 92.04000
• Density: 1.22 g/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:

98%,99%, ^*data from raw suppliers

PraeruptorinC 98% ^*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