Isolation and structure determination of aplidinones A-C from the Mediterranean ascidian Aplidium conicum:: A successful regiochemistry assignment by quantum mechanical 13C NMR chemical shift calculations

被引：41

作者：

Aiello, A ^{[1
]}

Fattorusso, E ^{[1
]}

Luciano, P ^{[1
]}

Mangoni, A ^{[1
]}

Menna, M ^{[1
]}

机构：

[1] Univ Naples Federico II, Dipartimento Chim Sostanze Nat, I-80131 Naples, Italy

来源：

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY | 2005年 / 2005卷 / 23期

关键词：

tunicates; ascidians; natural products; quinones; NMR spectroscopy; density functional calculations; GIAO;

D O I：

10.1002/ejoc.200500473

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A chemical investigation of a Mediterranean ascidian, Aplidium conicum, has resulted in the isolation of the new metabolites aplidinone A (1), B (2), and C (3). The structures of aplidinones A-C were determined by interpretation of spectroscopic data, whereas the regiochemistry was determined by the comparison of experimental C-13 NMR chemical shifts with those predicted by GIAO shielding calculations. (c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005.

引用

页码：5024 / 5030

页数：7

共 19 条

[1] Antitumor effects of two novel naturally occurring terpene quinones isolated from the Mediterranean ascidian Aplidium conicum [J].