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Wheldone Revisited: Structure Revision Via DFT-GIAO Chemical Shift Calculations, 1,1-HD-ADEQUATE NMR Spectroscopy, and X-ray Crystallography Studies.

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Title: Wheldone Revisited: Structure Revision Via DFT-GIAO Chemical Shift Calculations, 1,1-HD-ADEQUATE NMR Spectroscopy, and X-ray Crystallography Studies.
Authors: Rangel-Grimaldo M; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States., Earp CE; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States., Raja HA; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States., Wood JS; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, North Carolina 28409, United States., Mardiana L; Indicatrix Crystallography Ltd, Newcastle University, Newcastle NE1 7RU, U.K.; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K.; Department of Chemistry, Universitas Indonesia, Depok, Jawa Barat 16424, Indonesia., Ho KL; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K., Longcake A; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K., Williamson RT; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, North Carolina 28409, United States., Palatinus L; Department of Structure Analysis, Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, Prague 18221, Czech Republic., Hall MJ; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K., Probert MR; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K., Oberlies NH; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States.
Source: Journal of natural products [J Nat Prod] 2024 Aug 23; Vol. 87 (8), pp. 2095-2100. Date of Electronic Publication: 2024 Jul 23.
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
Journal Info: Publisher: American Society of Pharmacognosy Country of Publication: United States NLM ID: 7906882 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6025 (Electronic) Linking ISSN: 01633864 NLM ISO Abbreviation: J Nat Prod Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Rangel-Grimaldo+M%22">Rangel-Grimaldo M</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States.<br /><searchLink fieldCode="AU" term="%22Earp+CE%22">Earp CE</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States.<br /><searchLink fieldCode="AU" term="%22Raja+HA%22">Raja HA</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States.<br /><searchLink fieldCode="AU" term="%22Wood+JS%22">Wood JS</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, North Carolina 28409, United States.<br /><searchLink fieldCode="AU" term="%22Mardiana+L%22">Mardiana L</searchLink>; Indicatrix Crystallography Ltd, Newcastle University, Newcastle NE1 7RU, U.K.; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K.; Department of Chemistry, Universitas Indonesia, Depok, Jawa Barat 16424, Indonesia.<br /><searchLink fieldCode="AU" term="%22Ho+KL%22">Ho KL</searchLink>; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Longcake+A%22">Longcake A</searchLink>; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Williamson+RT%22">Williamson RT</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, North Carolina 28409, United States.<br /><searchLink fieldCode="AU" term="%22Palatinus+L%22">Palatinus L</searchLink>; Department of Structure Analysis, Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, Prague 18221, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Hall+MJ%22">Hall MJ</searchLink>; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Probert+MR%22">Probert MR</searchLink>; Chemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Oberlies+NH%22">Oberlies NH</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States.
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  Data: <searchLink fieldCode="JN" term="%227906882%22">Journal of natural products</searchLink> [J Nat Prod] 2024 Aug 23; Vol. 87 (8), pp. 2095-2100. <i>Date of Electronic Publication: </i>2024 Jul 23.
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