Dalbergia monetaria proanthocyanidin

Dataset

DOI

A rare dihydoxyflavan-epicatechin proanthocyanidin, entcassiflavan-(4  8)-epicatechin, has been isolated from Dalbergia monetaria, a plant widely used by traditional people from the Amazon to treat urinary tract infections. The constitution and relative configuration of the compound were elucidated by HR MS and detailed 1D and 2D NMR measurements. By comparing the experimental electronic circular dichroism (ECD) spectrum with the calculated ECD spectra of all 16 possible isomers, the absolute configuration, the interflavan linkage and the atropisomers could be determined.

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InChI=1S/C30H26O9/c31-16-4-1-14(2-5-16)26-12-19(18-7-6-17(32)10-27(18)38-26)28-24(36)13-22(34)20-11-25(37)29(39-30(20)28)15-3-8-21(33)23(35)9-15/h1-10,13,19,25-26,29,31-37H,11-12H2/t19-,25-,26-,29-/m1/s1

Identifier
DOI	https://doi.org/10.22000/528
Related Identifier	https://doi.org/10.3390/molecules27082512
Metadata Access	https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.22000/528

Provenance
Creator	Homobono Brito de Moura, Patricia; Brandt, Wolfgang ; Porzel, Andrea ; Martins, Roberto Carlos Campos ; Correa Ramos Leal, Ivana ; Wessjohann, Ludger A.
Publisher	Leibniz Institute of Plant Biochemistry (IPB), Weinberg 3, 06120 Halle (Saale), Germany
Contributor	RADAR
Publication Year	2022
Funding Reference	Coordenação de Aperfeicoamento de Pessoal de Nível Superior (CAPES) grid.452295.d GRID PDSE (88881.133771/2016-01) ; Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) grid.450640.3 GRID 312045/2014-0 ; Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro (FAPERJ) grid.452991.2 GRID E-26/202.817/2015 ; Leibniz-Institut für Pflanzenbiochemie grid.425084.f GRID
Rights	Open Access; Creative Commons Attribution 4.0 International; info:eu-repo/semantics/openAccess; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess	true

Representation
Language	English
Resource Type	NMR, MS, ECD spectra, calculated ECD spectra; Dataset
Format	application/x-tar
Discipline	Chemistry; Natural Sciences