ACD/Labs Blog

Symmetric Helical Synthesis Product This month’s problem is again a bit different from the others. It comes from the Department of Chemistry, University of Bath, UK. John Lowe had been trying to challenge Structure Elucidator and asked his colleagues at the Department for interesting problems. David Carbery gave him two synthetic samples, A and B,...

Melohemsine J The plants of the genus Melodinus (Apocynaceae) include 53 species and several of them have been used in traditional Chinese medicine. They can be found in regions of southern China and, together with the Loganiaceae and Rubiaceae families they are known to contain many monoterpenoid indole alkaloids. For these reasons they have been...

Hypocrolide A A particular type of sesquiterpenoids are botryanes. The have the same basic skeleton of a bivyvliv nonisoprenoid system. They have only been found in a few fungal species, including the pathogen Botrytis cinereal, a necrotrophic plant. Since they are sesquiterpene metabolites they expected, and they do show, various biological activity. Yuan at al...

Leonuketal Leonurus Japonicus is a plant that is used in common traditional Chinese medicine. In fact, the aerial parts of it are in the Chinese Pharmacopoeia. Many diterpene metabolites have been discovered on plants of the same genus, with the common characteristics of the furanolabdane class. This class has been found to have interesting bioactivities...

Lucidumone Meroterpenoids are natural products containing a terpenoid and a non-terpenoid part. There have been many classes of such compounds isolated and characterized so far, from various natural sources, several of which have been found to have a wide range of biological activities. Meroterpenoids from various fungi usually show considerable biological activity and for this...

E. Ioannou et al have developed an integrated metabolomic platform for the identification of known compounds and detection of new metabolites at the early stages of phytochemical analysis. Vagiallene was isolated through a series of chromatographic separations, molecular formula C₁₅H₁₅Br₂O₅.

Spirobisnaphthalenes are a relatively new and rare family of secondary metabolites. Their core structure usually consists of two bicyclo[4.4.0]decane units, connected with one another through at least one spiro center. The reported compound is a novel symmetric spirobisnaphthalene with a unique structural feature. Spiroaxillarone A, molecular formula C₁₉H₁₂O₆.

Chloraserrtone A, a new sesquiterpenoid dimer with two lindenane-type sesquiterpenoid monomers bridged by two six-membered rings, was isolated from Chloranthus serratus by Bai et al. It represents the first lindenane-type sesquiterpenoid dimer with an extremely unique skeleton, molecular formula C₃H₃₆O₉.

An unexpected synthetic product coming from Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) in Berlin, from the lab of Dr. Marc Nazaré. The dataset was provided to ACD/Labs as part of our Structure Elucidation Suite Challenge. The product was isolated after a reaction and it was found by HR-MS to have a molecular formula of C₁₄H₁₃N₃O.

The Penicillium sp. KFS28 fungus was isolated from a bivalve mollusk, Meretrix Lusoria, from the Haikou Bay in China. The EtOAc extract of the fermentation broth was processed by the authors who isolated and identified four new paxilline-type indole-terpenoids. Compound 1 has the molecular formula C₂₈H₃₅NO₆.