SYNTHESIS OF 1-ALPHA-[19-C-13]HYDROXYVITAMIN-D3 AND C-13 NMR ANALYSIS OF THE CONFORMATIONAL EQUILIBRIUM OF THE A-RING

被引：14

作者：

EGUCHI, T ^{[1
]}

KAKINUMA, K ^{[1
]}

IKEKAWA, N ^{[1
]}

机构：

[1] IWAKI MEISEI UNIV,IWAKI,FUKUSHIMA 970,JAPAN

来源：

BIOORGANIC CHEMISTRY | 1991年 / 19卷 / 03期

关键词：

D O I：

10.1016/0045-2068(91)90057-V

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

1α-[19-13C]Hydroxyvitamin D3 (6) was synthesized and its conformational equilibrium was investigated by means of variable temperature 13C NMR spectroscopy. The A-ring of 6 was found to exist in an equilibrium between two conformations in the ratio 52:48 at -100°C. The rate constants of the equilibrium were estimated by signal shape analysis according to the Gutowsky-Holm formulation. The thermodynamic parameters ΔG188 K≠ (coalescence temperature), ΔH≠, and ΔS≠ were deduced from the exchange rate to be 8.0 kcal/mol, 6.3 kcal/mol, and -9.0 cal/mol · deg, respectively. © 1991.

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页码：327 / 332

页数：6

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