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Strukturanalyse von Scillicyanosid‐pentahydrat. 58. Mitteilung über Herzglykoside [1]
Author(s) -
Jaunin André,
Weber Hans Peter,
Wartburg Albert Von
Publication year - 1973
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19730560702
Subject(s) - chemistry , hydrogen bond , ring (chemistry) , molecule , crystal structure , stereochemistry , aldehyde , steroid , glycoside , lactone , crystal (programming language) , crystallography , organic chemistry , catalysis , biochemistry , hormone , computer science , programming language
Abstract The crystal structure of the steroidal glycoside scillicyanosid‐pentahydrate has been determined by X ‐ray analysis. The rings of the steroid backbone are A/B cis , B/C trans , and C/D cis fused, the six substituents are all in β‐position (5β‐ D ‐gluco‐pyranoside, 10β‐aldehyde, 13β‐methyl, 14β‐hydroxy, 16β‐acetoxy, and a 17β‐lactone ring). The crystal structure displays a complex system of hydrogen bonds between the five water molecules and the various oxygen functions in the steroidal glycoside. There are no intra molecular hydrogen bonds. 624 structural parameters were refined to an R ‐value of 0.059 with 1907 significant structure factors.