Application of a computer‐assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton | Zendy

Li XingNuo | Zendy; Ridge Clark D. | Zendy; Mazzola Eugene P. | Zendy; Sun Jianghao | Zendy; Gutierrez Osvaldo | Zendy; Moser Arvin | Zendy; DiMartino Joseph C. | Zendy; MacDonald Scott A. | Zendy; Chen Pei | Zendy

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Application of a computer‐assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton

Author(s) -

Li XingNuo,

Ridge Clark D.,

Mazzola Eugene P.,

Sun Jianghao,

Gutierrez Osvaldo,

Moser Arvin,

DiMartino Joseph C.,

MacDonald Scott A.,

Chen Pei

Publication year - 2017

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.4466

Subject(s) - chemistry , aldehyde , bicyclic molecule , terpenoid , stereochemistry , carbon skeleton , molecule , skeleton (computer programming) , carbon 13 nmr , organic chemistry , computer science , programming language , catalysis

The structure of a novel compound from Adansonia digitata has been elucidated, and its 1 H and 13 C NMR spectra have been assigned employing a variety of one‐dimensional and two‐dimensional NMR techniques without degradative chemistry. The Advanced Chemistry Development ACD/Structure Elucidator software was important for determining part of this structure that contained a fused bicyclic system with very few hydrogen atoms, which in turn, exhibited essentially no discriminating HMBC connectivities throughout that portion of the molecule. Copyright © 2016 John Wiley & Sons, Ltd.

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