Attempts to assemble a universal NMR database without synthesis of NMR database compounds.
[structure: see text] The feasibility of assembling 3JH,H profiles from NMR data collected on relevant, but not necessarily specific, NMR database compounds representing a given stereocluster was demonstrated. By this approach, the 3JH,H profile was created for the contiguous tetraol peracetate stereocluster. The reliability and applicability of the database thus assembled were demonstrated for known peracetates derived from two heptoses.
Seike
Hirofumi
H
Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, USA.
Ghosh
Indranath
I
Kishi
Yoshito
Y
D000085:Acetates / Q000737:chemistry; D016208:Databases, Factual; D006539:Heptoses / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D010463:Peracetic Acid / Q000737:chemistry; D013237:Stereoisomerism
D000085:Acetates; D006539:Heptoses; D010463:Peracetic Acid