8-O-Ethylyunaconitine from the roots of Aconitum carmichaeli Debx.

The title compound [systematic name: (1α,3α,6α,8β,13β,14α,16β)-20-ethyl-8-ethoxy-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate], C35H51NO10, was isolated from roots of Acon...

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Bibliographic Details
Main Authors: San-Lin Wu, Fang Liu
Format: Article
Language:English
Published: International Union of Crystallography 2012-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812026463
Description
Summary:The title compound [systematic name: (1α,3α,6α,8β,13β,14α,16β)-20-ethyl-8-ethoxy-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate], C35H51NO10, was isolated from roots of Aconitum carmichaeli Debx., which is a typical C19-diterpenoid alkaloid. The molecule has an aconitane carbon skeleton with four six-membered rings and two five-membered rings. The six-membered rings adopt chair conformations or boat conformations, while the five-membered rings have envelope conformations. Intramolecular O—H...O and O—H...N hydrogen bonds help to stabilize the molecular structure. Weak intermolecular C—H...O interactions occur in the crystal structure.
ISSN:1600-5368