title: Toward creation of a universal NMR database for the stereochemical assignment of acyclic compounds: the case of two contiguous propionate units.
abstract: [formula: see text] Using triol 1 as a representative example of natural products containing two contiguous propionate units, 13C and 1H NMR databases for the stereochemical assignment of acyclic compounds have been created. Chemical shift increments due to the presence of additional functional groups as well as solvent effects are discussed.
authors.affiliation: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA.
authors.forename: Y
authors.initials: Y
authors.lastname: Kobayashi
authors.forename: J
authors.initials: J
authors.lastname: Lee
authors.forename: K
authors.initials: K
authors.lastname: Tezuka
authors.forename: Y
authors.initials: Y
authors.lastname: Kishi
mesh_terms: D016208:Databases, Factual; D006839:Hydrocarbons, Acyclic / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D011422:Propionates / Q000737:chemistry*; D013237:Stereoisomerism
chemical_list: D006839:Hydrocarbons, Acyclic; D011422:Propionates