Calculation-Assisted Stereochemical Analysis of Securingine A

Abstract

Presented here is a plausible structural candidate of securingine A that was not considered thus far. The newly proposed structure of securingine A is consistent with experimental NOESY data. DP4+ probability analysis of computed H-1 and C-13 chemical shifts corroborates the viability of our newly proposed structure. We propose a biosynthetic scenario that interrelates the newly suggested structure of securingine A and securingine B.