Structure elucidation of a proton-deficient natural product using LR-HSQMBC supported by DFT calculations

Planta Medica ◽  
2015 ◽  
Vol 81 (11) ◽  
Author(s):  
J Saurí ◽  
STS Chan ◽  
AV Buevich ◽  
KR Gustafson ◽  
RT Williamson ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Natural Product ◽  
Structure Elucidation

Trachycladindoles H–M: Molecular Networking Guided Exploration of a Library of Southern Australian Marine Sponges

2020 ◽  
Vol 73 (4) ◽  
pp. 338 ◽  
Author(s):  
Shamsunnahar Khushi ◽  
Laizuman Nahar ◽  
Angela A. Salim ◽  
Robert J. Capon
Keyword(s):  
Chemical Analysis ◽  
Natural Product ◽  
Structure Elucidation ◽  
Spectroscopic Analysis ◽  
Marine Sponges ◽  
Single Specimen ◽  
Guided Search ◽  
Guided Exploration ◽  
Rare Class ◽  
Great Australian Bight

A global natural product social (GNPS) molecular network guided search of a library of 960 southern Australian marine sponge extracts successfully detected a deep-water Great Australian Bight sponge, Geodia sp. (CMB-01063), as a new source of a rare class of indolo-imidazole alkaloids previously believed to be unique to a single specimen of Trachycladus laevispirulifer (CMB-03397). Chemical analysis of CMB-01063 detected the known trachycladindoles A–G (1–7), and led to the isolation, characterisation, and structure elucidation of the new trachycladindoles H–M (8–13). Structures for 8–13 were assigned on the basis of detailed spectroscopic analysis, with comparison to authentic standards of 1–7.

Applied evolution: phylogeny-based approaches in natural products research

2019 ◽  
Vol 36 (9) ◽  
pp. 1295-1312 ◽  
Author(s):  
Martina Adamek ◽  
Mohammad Alanjary ◽  
Nadine Ziemert
Keyword(s):  
Natural Products ◽  
Natural Product ◽  
Structure Elucidation ◽  
Phylogenetic Analyses ◽  
Natural Product Discovery

Here we highlight how phylogenetic analyses can be used to facilitate natural product discovery and structure elucidation.

The Structure Elucidation of Haprolid

Synthesis ◽  
2017 ◽  
Vol 50 (03) ◽  
pp. 529-538 ◽  
Author(s):  
Markus Kalesse ◽  
Jun Li ◽  
Jun Xing ◽  
Daniel Lücke ◽  
Dennis Lübken ◽  
...  
Keyword(s):  
Total Synthesis ◽  
Natural Product ◽  
Structure Elucidation ◽  
Carcinoma Cell ◽  
Hidden Markov ◽  
Biological Evaluation ◽  
Terminal Olefin ◽  
Carcinoma Cell Lines ◽  
Hepatocellular Carcinoma Cell ◽  
Key Steps

The assignment of two stereocenters of the natural product haprolid through the application of a profile hidden Markov model (HMM) and its confirmation through total synthesis of the natural product and of two of its diastereomers are reported. The structure elucidation of this polyketide-peptide hybrid natural product is a telling showcase of how difficult it can be to determine the absolute configuration of isolated stereocenters and the benefits of a gene cluster analysis for structure determination. The key steps of the synthesis are a selective epoxidation of a terminal olefin and the stereodivergent macrolactonization strategy. Furthermore, the biological evaluation of all products showed that all diastereomers are potent inhibitors of hepatocellular carcinoma cell lines.

Lepistirones, Major Volatile Metabolites from Liquid Cultures of Lepista irina (Basidiomycotina)

1991 ◽  
Vol 46 (3-4) ◽  
pp. 169-171 ◽  
Author(s):  
Wolf-Rainer Abraham ◽  
Hans-Peter Hanssen ◽  
Irene Urbasch
Keyword(s):  
Liquid Medium ◽  
Natural Product ◽  
Structure Elucidation ◽  
Spectroscopic Methods ◽  
Liquid Cultures ◽  
Volatile Metabolites ◽  
Nuclear Overhauser Enhancement ◽  
Steam Distillate ◽  
Nuclear Overhauser ◽  
First Time

The basidiomycete Lepista irina (F r.) Bigelow (strains CBS 366.47 and CBS 458.79) was cultivated on a biomalt (2% )-liquid medium for 28 days. The steam distillate was analyzed by GLC and GLC-S. The structure elucidation of the predominant constituent resulted from spectroscopic methods, particularly from its 13CNMR spectrum, nuclear Overhauser enhancement 1HNMR data, and from 2d 1H homonuclear shift correlation. The bisabolane derivative was nam ed lepistirone and is described for the first time as a natural product. Two minor related com pounds could be characterized by their MS data.

scholarly journals Virescenols: Sources, Structures and Chemistry

2008 ◽  
Vol 3 (6) ◽  
pp. 1934578X0800300
Author(s):  
Maria Carla Marcotullio ◽  
Ornelio Rosati ◽  
Massimo Curini
Keyword(s):  
Natural Product ◽  
Structure Elucidation ◽  
Structural Modifications

This review provides the first overview on the isolation and structure elucidation of a class of isopimaric diterpenes: virescenols. An important part of this review deals with the structural modifications of virescenols leading to several different natural product frameworks.

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