Polypropionat Structure Elucidation

Marine mollusks of the genus Siphonaria, commonly known as false limpets, are shelled, air-breathing herbivores that are believed to have a marine ancestry. When disturbed, siphonariid limpets secrete a sticky white mucus rich in polypropionate secondary metabolites. Specimens were steeped in acetone, and the acetone extract was subjected to extensive chromatography to afford three new polypropionate metabolites. Spectroscopic data of Polypropionate 1 (molecular formula C₂₀H₃₂O₃) are used here to describe the structure elucidation of this compound using CASE techniques.

Sikorska et al isolated and investigated the unusual polyketide macrolides Mandelalides A-D which were isolated from a new species of Lissoclinum ascidian. Their planar structures were elucidated from sub-milligram samples by comprehensive analysis of 1D and 2D NMR data, and supported by mass spectrometry. Here we will describe the elucidation of Mandelalide A (molecular formula C₃₃H₅₂O₁₁) using ACD/Structure Elucidator Suite.

While studying the herb Aconitum barbatum Pers. var. puberulum Ledeb., Mu et al isolated six new C18-diterpenoid alkaloids including Puberunine (molecular formula C₂₃H₃₅NO₇) that possesses an unusual rearranged 7-membered ring. This structural feature is unprecedented in the field of diterpenoid alkaloids.

During screenings for new secondary metabolites from fungi originating from the South China Sea, Luo and co-workers isolated 10 anthraquinone compounds, including eight new anthraquinones regarded as emodacidamides A−H. Structures of these compounds were elucidated, and the NMR data utilized for the structure elucidation of emodacidamide A (molecular formula C₂₁H₁₉NO₈) were used by us to challenge ACD/Structure Elucidator.

Tistechok et al. described the isolation, purification, and structure elucidation of a new naphthoquinone-based meroterpenoid, Furaquinocin L from Streptomyces sp. Je 1-369, which expands the structural diversity of the furaquinocin family of natural products.

As a part of an ongoing research for SNTs from Schisandra micrantha, a minor SNT featuring a complex tetracyclo[5.4.0.02,4.03,7]undecane-bridged system, termed lancolide E, was isolated by Shi et al, molecular formula C₂₉H₃₂O₁₀.

The spectroscopic data presented for the structure elucidation of Actinobenzoquinoline (molecular formula C₁₉H₁₈N₂O₄) were used to challenge ACD/Structure Elucidator.

A highly brominated compound, 2,3,5,7-tetrabromobenzofuro[3,2-b]pyrrole (molecular formula C₁₀H₃Br₄NO), was extracted from a marine Protobacterium, Pseudoalteromonas sp.

Gao et al isolated, amongst others, Cascarinoid A, the first example of a crotofolane diterpenoid alkaloid, molecular formula C₂₈H₃₁NO₅.