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Structure reassignment of Echinosulfone A and the Echinosulfonic Acids A-D supported by Single-Crystal X-ray diffraction and density functional theory analysis
Journal article   Peer reviewed

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 and Gavin R Flematti
Journal of natural products (Washington, D.C.), Vol.83(1), pp.105-110
2020
PMID: 31934769

Abstract

Chemistry, Medicinal Life Sciences & Biomedicine Pharmacology & Pharmacy Plant Sciences Science & Technology
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 C-13 NMR shifts.

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Collaboration types
Domestic collaboration
Citation topics
3 Agriculture, Environment & Ecology
3.198 Mycotoxins
3.198.749 Porifera
Web Of Science research areas
Chemistry, Medicinal
Pharmacology & Pharmacy
Plant Sciences
ESI research areas
Pharmacology & Toxicology
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