Crystal and molecular structure of withanolide E, a new natural steroidal lactone with a 17α-side-chain

1972 ◽  
Vol 0 (15) ◽  
pp. 877-878 ◽  
Author(s):  
D. Lavie ◽  
I. Kirson ◽  
E. Glotter ◽  
D. Rabinovich ◽  
Z. Shakked
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Side Chain ◽  
Steroidal Lactone ◽  
Withanolide E

Crystal and molecular structure of heptacain hydrochloride

1986 ◽  
Vol 51 (2) ◽  
pp. 264-270 ◽  
Author(s):  
František Pavelčík ◽  
Milan Remko ◽  
Jozef Čižmárik ◽  
Jaroslav Majer
Keyword(s):  
Molecular Structure ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Side Chain ◽  
Ring Plane ◽  
Benzene Ring Plane ◽  
Carbamate Group

The crystal and molecular structure of heptacain hydrochloride was determined from three-dimensional diffractometric data. The carbamate group was found to be rotated out of the benzene ring plane by 15.5°, whilst the piperidine ring is in a more stable chair conformation. The heptyloxy side chain is in a stable all-trans conformation. The structure was refined by the full matrix least-squares method to a final R value 0.1127 for the observed reflections.

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