Structure Reassignment of Echinosulfone A and the Echinosulfonic Acids A-D Supported by Single-Crystal X-ray Diffraction and Density Functional Theory Analysis

Samuele Sala, Gareth L. Nealon, Alexandre N. Sobolev, Jane Fromont, Oliver Gomez, Gavin R. Flematti

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Two previously reported bis-indole alkaloids, echinosulfone A and echinosulfonic acid B, have been isolated for the first time from a Western Australian marine sponge, Crella sp. (order: Poecilosclerida, family: Crellidae). Single-crystal X-ray diffraction of a decomposition product of echinosulfone A prompted our investigation and subsequent structure reassignment of the echinosulfonic acid natural product family, which we report here. The reassignments are supported by analysis of 1D and 2D NMR data, MS fragmentation, and DFT calculations of 13C NMR shifts.

Original languageEnglish
Pages (from-to)105-110
Number of pages6
JournalJournal of Natural Products
Volume83
Issue number1
DOIs
Publication statusPublished - 24 Jan 2020

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