A new perylenequinone, named hypomycin A, was isolated from the mycelia of Hypomyces sp.. Its structure was elucidated on the basis of spectroscopic methods.
Intramolecular proton transfer of hypomycin A in the ground state S0 and singlet excited state S1 were calculated by high level quantum chemical method in this letter. It was found that the IPT barriers for I→TS1 ar...Intramolecular proton transfer of hypomycin A in the ground state S0 and singlet excited state S1 were calculated by high level quantum chemical method in this letter. It was found that the IPT barriers for I→TS1 are 38.56 kJ/mol in S0 and 8.19 kJ/mol in S1, while those for I→TS4 get approximately 17 kJ/mol higher in S0 and 28 kJ/mol higher in S1. The calculation of IPT rate constants suggests that the experiment observed process of PQD is in S1. The height of the IPT barriers correlate not only with the variance of charge for labile hydrogen, the change of H-bonds length, the change of O-H bonds length and the change of O-O distance, but also with the reactant molecular H-bonds length. Moreover, the correlations are the same for S0 and S1.展开更多
AIM To study the chemical constituents from the mycelia of Hypomyces sp. METHODS Silica gel column chromatography was employed for the isolation and purification. The structure of compound 1 was elucidated on the basi...AIM To study the chemical constituents from the mycelia of Hypomyces sp. METHODS Silica gel column chromatography was employed for the isolation and purification. The structure of compound 1 was elucidated on the basis of spectral analysis. RESULTS and CONCLUSION A new perylenequinone, named hypomycin B 1, was isolated from the mycelia of Hypomyces sp.展开更多
文摘A new perylenequinone, named hypomycin A, was isolated from the mycelia of Hypomyces sp.. Its structure was elucidated on the basis of spectroscopic methods.
文摘Intramolecular proton transfer of hypomycin A in the ground state S0 and singlet excited state S1 were calculated by high level quantum chemical method in this letter. It was found that the IPT barriers for I→TS1 are 38.56 kJ/mol in S0 and 8.19 kJ/mol in S1, while those for I→TS4 get approximately 17 kJ/mol higher in S0 and 28 kJ/mol higher in S1. The calculation of IPT rate constants suggests that the experiment observed process of PQD is in S1. The height of the IPT barriers correlate not only with the variance of charge for labile hydrogen, the change of H-bonds length, the change of O-H bonds length and the change of O-O distance, but also with the reactant molecular H-bonds length. Moreover, the correlations are the same for S0 and S1.
文摘AIM To study the chemical constituents from the mycelia of Hypomyces sp. METHODS Silica gel column chromatography was employed for the isolation and purification. The structure of compound 1 was elucidated on the basis of spectral analysis. RESULTS and CONCLUSION A new perylenequinone, named hypomycin B 1, was isolated from the mycelia of Hypomyces sp.
