Computation-Enhanced Structure Elucidation of Cyclopropane-Containing Polyketides Ikeiamides A–M

Ikeiamides A–M (1–13),
cyclopropane-containing polyketides, were isolated from a marine Caldora sp. cyanobacterium. Although 1–13 are chemically unstable compounds and nine were obtained
only in trace quantities (<1 mg), their structures were elucidated
through the extensive application of computational chemistry, including
DP4 and CP3 methods. This study provides a compelling demonstration
of the utility of computational approaches in the structural elucidation
of scarce and labile natural products.