Bipodonines A–J, a new class of natural sesquiterpenes with a 2-(tetrahydro-2H-pyran-2-yl)propan-2-ol system from the fungus Bipolaris cynodontis DJWT-01

Abstract

Ten novel sesquiterpenes, bipodonines A-J (1-10) with 2-(tetrahydro-2H-pyran-2-yl)propan-2-ol system and two known polyketide-terpenoids (11-12) were characterized from Bipolaris cynodontis DJWT-01. The structures of new compounds were determined by extensive spectroscopic...

Isatin-based spiro indolenine alkaloids from Isatis indigotica Fortune with anti-neuroinflammatory and acetylcholinesterase inhibitory effects

“…35 The theoretical ECD calculations of the conformations of compounds were performed with the TDDFT method at the B3LYP/6-311++G(2d,p) level with the CPCM model in methanol solution. 36 Finally, the calculated ECD curve was generated by using SpecDis 1.51. 37…”

Rapid screening of unprecedented sesquiterpenes with distinctive ring skeletons from Daphne aurantiaca employing an integrated strategy

“…The conformational analysis of 1–6 was conducted using Spartan software with Molecular Merck force field (MMFF94). 39–43 These conformers were optimized at the B3LYP/6-31G(d) level. The optimized conformers were calculated by the TDDFT method at the B3LYP/6-311++G(2d,p) level.…”

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“…Bipodonines A 10 –J are sesquiterpenoid derivatives, produced by Bipolaris cyanodontis DJWT-01, with a 2-(tetrahydro-2 H -pyran-2-yl)propan-2-ol system. 10 The structure of bipodonine A 10 was confirmed by X-ray analysis. It is proposed that the bipodonines are formed by degradation of the co-occurring merosesquiterpenoid cochlioquinone A 11 .…”