LAOCOON program

The probable errors of the refined chemical-shifts and coupling-constants are printed in the output of the LAOCOON programs, but these errors are now generally believed246 to be unreasonably small, and they have sometimes been multiplied by a factor of two248 or five247 when reported. 

The proton signals of uridine (36) dissolved in deuterium oxide are well separated at 220 MHz, and a complete analysis and simulation of the spectrum by means of the LAOCOON II computer program (see Section V, p. 74) has been reported.107 It was concluded from the temperature-independence of the coupling constants and chemical shifts of the D-ribofuranoid moieties of uridine, /3-pseudouridine (40), and a-pseudouridine (41), that each of these compounds... 

The LAOCOON II program has been used to calculate theoretical spectra for l,3,4,6-tetra-0-acetyl-2,5-0-methylene-D-mannitol-1,1,6,6-d4 (76 p. 73),192 and in the iterative analysis and simulation of spectra of methyl 2,3- and 3,4-anhydroglycopyranosides86 (LAOCN3 was also used), the protons of the sugar portion of many nucleosides,104-105-107 109 for example, 2 -deoxyadenosine251 (84), and adenosine 5 -phosphate126 (55 p. 60). 

The i 220 PIHz hlgh-resolutlon NHR spectra of dlbenz[bj oxeplne d) and dlbenz[bjjfQazeplne XU have been solved by means of the LAOCOON III program. NHR analyses In carbon-dlsulphlde and, for I,... 

Coupled P- and H-NMR spectra were simulated using a Laocoon-type spectral-simulation program representative P and H coupling constants derived from this analysis are shown in Table VI. The three-bond coupling constants (particularly V2P 24.5 Hz) for all aryl esters 8a-11a (8, Ar = p methoxyphenyl 9, Ar = phenyl 10, Ar = p-nitrophenyl 11, Ar = 2,4-dini-trophenyl 12, Ar = p-nitrophenyl) are consistent with an axial-ester chair... 

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