Diagnostically analyzing 1H NMR spectra of sub-types in chaetoglobosins for dereplication

Abstract

¹ H-NMR spectra provide abundant diagnostic information including chemical shift values, splitting patterns, coupling constants, and integrals. Thus some key functional groups, and even planar structures could be elucidated on the basis of carefully analyzing the corresponding ¹H NMR spectrum. In this paper, the different sub-types of chaetoglobosins are classified according to the structural features, of which the ¹H NMR spectra are systematically summed up. Thus diagnostically analyzing the ¹H-NMR spectra could identify possible sub-types of chaetoglobosins, which could be used for dereplication. According to the analysis of this report, it implies that different new sub-types or new sub-type combinations in the key skeleton of chaetoglobosins might exist in nature. More importantly, dereplication based on ¹H NMR spectral analysis will not only provide a useful approach to determine the chaetoglobosins structures quickly, but also could set a good example for structural dereplication of other NPs.