11,14-Dihydroxyhetisan-2,13-diyl diacetate

Base Information

• Chemical Name: 11,14-Dihydroxyhetisan-2,13-diyl diacetate
• CAS No.: 1394-48-5
• Molecular Formula: C24H31 N O6
• Molecular Weight: 429.51
• DSSTox Substance ID: DTXSID10930460
• Mol file: 1394-48-5.mol

Synonyms:acehytisine;Guan-fu base A;guanfu base A

Chemical Property of 11,14-Dihydroxyhetisan-2,13-diyl diacetate

Chemical Property:

• Vapor Pressure: 5.55E-14mmHg at 25°C
• Boiling Point: 541.5°Cat760mmHg
• PKA: 12.97±0.70(Predicted)
• Flash Point: 281.3°C
• PSA: 96.30000
• Density: 1.43g/cm³
• LogP: 0.95840
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 429.21513771
• Heavy Atom Count: 31
• Complexity: 966

Purity/Quality:

≥98% ^*data from raw suppliers

Guan-fu base A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2(CN3C4C2C5(C1)C3C6(C(C7C(C5C6(C4)CC7=C)O)OC(=O)C)O)C
• Isomeric SMILES: CC(=O)O[C@H]1C[C@]2(CN3C4[C@H]2C5(C1)C3[C@]6(C([C@H]7[C@H](C5C6(C4)CC7=C)O)OC(=O)C)O)C