6-O-(3-Ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin

Base Information

• Chemical Name: 6-O-(3-Ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin
• CAS No.: 128201-92-3
• Molecular Formula: C44H44 O16
• Molecular Weight: 828.8106
• DSSTox Substance ID: DTXSID00926094
• Mol file: 128201-92-3.mol

Synonyms:6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin;IST 622;IST-622

Chemical Property of 6-O-(3-Ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 201.02000
• Density: 1.48g/cm³
• LogP: 4.75720
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 12
• Exact Mass: 828.26293531
• Heavy Atom Count: 60
• Complexity: 1540

Purity/Quality:

6-O-(3-ETHOXYPROPIONYL)-3',4'-O-EXO-BENZYLIDENECHARTREUSIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCC(=O)OC1=C2C3=C(C4=C1C=CC(=C4)OC5C(C6C(C(O5)C)OC(O6)C7=CC=CC=C7)OC8C(C(C(C(O8)C)O)OC)O)OC(=O)C9=C(C=CC(=C93)OC2=O)C