35079-22-2

Basic information

• Product Name: trans-diethylstilbestrol dimethylsulfoxide solvate
• CAS NO: 35079-22-2
• Molecular Weight: 346.491
• Mol File: 35079-22-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: trans-diethylstilbestrol dimethylsulfoxide solvate(CAS DataBase Reference)
• NIST Chemistry Reference: trans-diethylstilbestrol dimethylsulfoxide solvate(35079-22-2)
• EPA Substance Registry System: trans-diethylstilbestrol dimethylsulfoxide solvate(35079-22-2)

Safety Data

• Hazardous Substances Data: 35079-22-2(Hazardous Substances Data)

Upstream product

• 56-53-1 diethylstilbestrol 
• 67-68-5 dimethyl sulfoxide 

Relevant articles and documents

Isomerization of trans-diethylstilbestrol to pseudo-diethylstilbestrol

This study reports the formation and isolation of a diethylstilbestrol-dimethylsulfoxide (DES-DMSO) adjunct and Z-3,4-di(p-hydroxyphenyl)-2-hexene (ψ-DES) from trans-DES.The presence of ψ-DES was indicated by NMR and mass spectrometry and confirmed by direct comparison to a reference sample.High resolution NMR (360 MHz) along with the comparison of the chemical shift values of methine and methyl protons attached to carbon-carbon double bonds in Z and E isomers of 3-substituted-2-pentenes and dienestrol derivatives were used in postulating the Z-stereochemistry for ψ-DES.A NMR additive increment method was useful for the comparison of the chemical shift values of methine protons in ψ-DES and other literature compounds.Nuclear Overhauser Enhancement (NOE) confirmed the Z-stereochemistry of ψ-DES.