Discovery of new natural products by application of X-hitting, a novel algorithm for automated comparison of full UV spectra, combined with structural determination by NMR spectroscopy

Thomas Ostenfeld Larsen; Bent O Petersen; Jens Ø Duus; Dan Sørensen; Jens C Frisvad; Michael E Hansen

doi:10.1021/np040248s

Discovery of new natural products by application of X-hitting, a novel algorithm for automated comparison of full UV spectra, combined with structural determination by NMR spectroscopy

J Nat Prod. 2005 Jun;68(6):871-4. doi: 10.1021/np040248s.

Authors

Thomas Ostenfeld Larsen¹, Bent O Petersen, Jens Ø Duus, Dan Sørensen, Jens C Frisvad, Michael E Hansen

Affiliation

¹ Center for Microbial Biotechnology, BioCentrum-DTU, Søltofts Plads, Technical University of Denmark, Lyngby. [email protected]

PMID: 15974610
DOI: 10.1021/np040248s

Abstract

X-hitting, a newly developed algorithm for automated comparison of UV data, has been used for the tracking of two novel spiro-quinazoline metabolites, lapatins A (1) and B (2), in a screening study targeting quinazolines. The structures of 1 and 2 were elucidated by analysis of spectroscopic data, primarily 2D NMR.

Publication types

Comparative Study
Research Support, Non-U.S. Gov't

MeSH terms

Algorithms*
Biological Products / chemistry*
Biological Products / isolation & purification*
Molecular Structure
Nuclear Magnetic Resonance, Biomolecular
Quinazolines / chemistry*
Quinazolines / isolation & purification*
Software
Spectrophotometry, Ultraviolet

Substances

Biological Products
Quinazolines
lapatin A
lapatin B