Crystal Structure and Conformation of Ring A of 2β-Bromo-19β,28-epoxy-18α-oleanan-3-one

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Title:Crystal Structure and Conformation of Ring A of 2β-Bromo-19β,28-epoxy-18α-oleanan-3-one
Creators:
Novotný, Jiří
Podlaha, Jaroslav
Klinot, Jiří
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 58, 11, pp. 2737-2744

Abstract

The crystal structure of β-bromo-19β,28-epoxy-18α-oleanan-3-one was elucidated. The crystal is orthorhombic, <i>P2</i><sub>1</sub><i>2</i><sub>1</sub><i>2</i><sub>1</sub>, <i>a</i> = 9.686(1), <i>b</i> = 14.355(2), <i>c</i> = 19.687(4) Å, <i>Z</i> = 4, <i>R</i> = 0.042 for 2 410 observed reflections. Rings B, C, D and E adopt the chair conformation, the five membered ether cycle in ring E occurs in the envelope form. Ring A takes the twist-boat conformation turned towards the classical boat with C2 and C5 in the stem-stern position, in contrast to the conformation in solution, which is turned in the opposite direction towards the classical boat with C3 and C10 in the stem-stern positions.

Title:Crystal Structure and Conformation of Ring A of 2β-Bromo-19β,28-epoxy-18α-oleanan-3-one
Creators:
Novotný, Jiří
Podlaha, Jaroslav
Klinot, Jiří
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:58
Number:11
Page Range:pp. 2737-2744
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19932737UNSPECIFIED
ID Code:390
Item Type:Article
Deposited On:06 Feb 2009 17:00
Last Modified:06 Feb 2009 16:00

Citation

Novotný, Jiří; Podlaha, Jaroslav; Klinot, Jiří (1993) Crystal Structure and Conformation of Ring A of 2β-Bromo-19β,28-epoxy-18α-oleanan-3-one. Collection of Czechoslovak Chemical Communications, 58 (11). pp. 2737-2744. ISSN 0010-0765

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