Thesin

Base Information

• Chemical Name: Thesin
• CAS No.: 528-37-0
• Molecular Formula: C34H42 N2 O6
• Molecular Weight: 574.71
• DSSTox Substance ID: DTXSID00967260

Synonyms:Thesin;Thesine;528-37-0;1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxyphenyl)-, bis((hexahydro-1H-pyrrolizin-1-yl)methyl) ester, (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-;Bis((hexahydro-1H-pyrrolizin-1-yl)methyl) 2,4-bis(4-hydroxyphenyl)-1,3-cyclobutanedicarboxylate (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-;C34H42N2O6;C34-H42-N2-O6;DTXSID00967260;Bis[(hexahydro-1H-pyrrolizin-1-yl)methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate

Chemical Property of Thesin

Chemical Property:

• Vapor Pressure: 3.95E-22mmHg at 25°C
• Boiling Point: 731.7°Cat760mmHg
• Flash Point: 396.3°C
• PSA: 99.54000
• Density: 1.33g/cm³
• LogP: 4.14200
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 574.30428706
• Heavy Atom Count: 42
• Complexity: 874

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(CCN2C1)COC(=O)C3C(C(C3C4=CC=C(C=C4)O)C(=O)OCC5CCN6C5CCC6)C7=CC=C(C=C7)O
• Isomeric SMILES: C1C[C@@H]2[C@@H](CCN2C1)COC(=O)C3C(C(C3C4=CC=C(C=C4)O)C(=O)OC[C@@H]5CCN6[C@@H]5CCC6)C7=CC=C(C=C7)O

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