Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host

Density functional theory calculations of 1 H and 13 C chemical shifts are used to assign the relative configurations of isohirsut-1-ene, isohirsut-4-ene and tsukubadiene, three terpenes previously isolated from an engineered Streptomyces .

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Bibliographische Detailangaben
Veröffentlicht in:	Journal of antibiotics 2016-07, Vol.69 (7), p.534-540
Hauptverfasser:	Nguyen, Q Nhu N, Tantillo, Dean J
Format:	Artikel
Sprache:	eng
Schlagworte:	101/6 639/638/403/935 639/638/403/936 639/638/60 Bacteriology Biomedical and Life Sciences Bioorganic Chemistry Cell Engineering Diterpenes - chemistry Life Sciences Medicinal Chemistry Microbiology Nuclear Magnetic Resonance, Biomolecular Organic Chemistry original-article Quantum Theory Sesquiterpenes - chemistry Streptomyces - chemistry
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Beschreibung
Zusammenfassung:	Density functional theory calculations of 1 H and 13 C chemical shifts are used to assign the relative configurations of isohirsut-1-ene, isohirsut-4-ene and tsukubadiene, three terpenes previously isolated from an engineered Streptomyces .
ISSN:	0021-8820 1881-1469
DOI:	10.1038/ja.2016.51