| アイテムタイプ |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2025-12-01 |
| タイトル |
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|
タイトル |
Conformationally flexible ellagitannins: conformational analysis of davidiin and punicafolin by DFT-based 1H–1H coupling constant calculations |
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言語 |
en |
| 言語 |
|
|
言語 |
eng |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| 著者 |
Matsuo, Yosuke
Iki, Misato
Okubo, Chiho
Saito, Yoshinori
Tanaka, Takashi
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| 抄録 |
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内容記述タイプ |
Abstract |
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内容記述 |
Many ellagitannins with various conformations of their glucose moiety have been isolated from natural plant sources. Herein, we performed a conformational analysis using density functional theory (DFT) calculations of 1H–1H coupling constants. In solution, davidiin was found to exist as an equilibrium mixture of the BO,3 (boat) and 1C4 (chair) conformations, whereas punicafolin is an equilibrium mixture of the 3S1 (skew-boat) and 1C4 conformations. Their conformational equilibria vary depending on solvent and temperature. Such conformational flexibility may be important for the biosynthesis of ellagitannins with diverse structures. |
|
言語 |
en |
| 書誌情報 |
en : New Journal of Chemistry
巻 49,
号 26,
p. 11068-11079,
発行日 2025-04-30
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| 出版者 |
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出版者 |
Royal Society of Chemistry |
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言語 |
en |
| ISSN |
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収録物識別子タイプ |
ISSN |
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収録物識別子 |
1144-0546 |
| DOI |
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|
関連タイプ |
isVersionOf |
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|
識別子タイプ |
DOI |
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|
関連識別子 |
https://doi.org/10.1039/D5NJ01278C |
| 権利 |
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|
権利情報 |
© Royal Society of Chemistry 2025 |
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言語 |
en |
| 著者版フラグ |
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|
出版タイプ |
AM |
|
出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
| 引用 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
New Journal of Chemistry, 49(26), pp.11068-11079; 2025 |
|
言語 |
en |
NJC49_11068.pdf (1.3 MB)
