Absolute configurations of globosuxanthone A and secondary metabolites from Microdiplodia sp. - A novel solid-state CD/TDDFT approach

Hidayat Hussain, Karsten Krohn, Ulrich Floerke, Barbara Schulz, Siegfried Draeger, Gennaro Pescitelli, S. Antus, T. Kurtán

Research output: Contribution to journalArticle

56 Citations (Scopus)

Abstract

The absolute configuration of a potent new antitumor dihydroxanthenone, globosuxanthone A (1), active against human solid tumor cell lines and isolated by Gunatilaka et al. from Chaetomium globosum Ames[1] and in this study from the endophytic fungus Microdiplodia sp., was established by a new methodology. In this new approach, the Cartesian coordinates of the X-ray data serve as input geometry for quantum mechanical calculation of the theoretical CD spectrum. Comparison with the solid-state CD spectrum gives a very good match, since the calculated and the experimentally acquired data are derived from the very same single conformation.

Original languageEnglish
Pages (from-to)292-295
Number of pages4
JournalEuropean Journal of Organic Chemistry
Issue number2
DOIs
Publication statusPublished - 2007

Fingerprint

Chaetomium
Metabolites
Tumor Cell Line
Fungi
X-Rays
Conformations
Tumors
Cells
X rays
Geometry
globosuxanthone A

Keywords

  • Dihydroxanthenone
  • Fungal secondary metabolites
  • Microdiplodia sp.
  • Single-crystal X-ray analysis
  • Solid-state CD
  • TDDFT CD calculations

ASJC Scopus subject areas

  • Organic Chemistry

Cite this

Absolute configurations of globosuxanthone A and secondary metabolites from Microdiplodia sp. - A novel solid-state CD/TDDFT approach. / Hussain, Hidayat; Krohn, Karsten; Floerke, Ulrich; Schulz, Barbara; Draeger, Siegfried; Pescitelli, Gennaro; Antus, S.; Kurtán, T.

In: European Journal of Organic Chemistry, No. 2, 2007, p. 292-295.

Research output: Contribution to journalArticle

Hussain, Hidayat ; Krohn, Karsten ; Floerke, Ulrich ; Schulz, Barbara ; Draeger, Siegfried ; Pescitelli, Gennaro ; Antus, S. ; Kurtán, T. / Absolute configurations of globosuxanthone A and secondary metabolites from Microdiplodia sp. - A novel solid-state CD/TDDFT approach. In: European Journal of Organic Chemistry. 2007 ; No. 2. pp. 292-295.
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