TABLE 3

Proton (1H NMR) and carbon chemical shifts (13C NMR for parent and heteronuclear multiple quantum coherence for conjugates) of compound 2 and its two GSH conjugates (GSH2-3 and GSH2-4)

The proposed structure of GSH2-3 (Z) is shown below. The numbering system is for illustrative purposes only and does not correspond to International Union of Pure and Applied Chemistry nomenclature.

δH ppmδC ppm
PositionCompound 2GSH2-3GSH2-4Compound 2GSH2-3GSH2-4
38.59–8.478.548.53NANANA
44.934.924.9063.764.264.1
55.595.625.7981.982.281.2
77.517.547.54128.5129.0128.6
87.297.267.32115.7116.4116.1
107.297.267.32115.7116.4116.1
117.517.537.54128.5129.0128.6
Embedded Image157.767.677.57127.6123.4124.4
168.008.007.87138.4139.0137.9
177.60–7.577.477.54122.2120.9119.8
20NANA81.9NA
21NA7.156.84a93.0121.9128.8a
248.59 – 8.478.558.53146.7145.1145.8
257.64–7.617.407.54126.4124.1125.6
267.767.727.88124.1123.4125.2
  • NA, not applicable.

  • a The site could not be assigned because HMBC and ROESY spectra were unavailable.