title: Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host.
abstract: 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.
authors.affiliation: Department of Chemistry, University of California-Davis, Davis, CA, USA.
authors.forename: Q Nhu N
authors.initials: QN
authors.lastname: Nguyen
authors.affiliation: Department of Chemistry, University of California-Davis, Davis, CA, USA.
authors.forename: Dean J
authors.initials: DJ
authors.lastname: Tantillo
mesh_terms: D060846:Cell Engineering; D004224:Diterpenes / Q000737:chemistry*; D019906:Nuclear Magnetic Resonance, Biomolecular; D011789:Quantum Theory; D012717:Sesquiterpenes / Q000737:chemistry*; D013302:Streptomyces / Q000737:chemistry*
chemical_list: D004224:Diterpenes; D012717:Sesquiterpenes