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231224s2015 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.4278
|2 doi
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|a pubmed24n0838.xml
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|a DE-627
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|e rakwb
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|a eng
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| 100 |
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|a Ortega, Alfredo R
|e verfasserin
|4 aut
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| 245 |
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|a Structure elucidation of a new isoflavone by exclusive use of ¹H NMR measurements
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|c 2015
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 15.04.2016
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|a Date Revised 19.09.2015
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2015 John Wiley & Sons, Ltd.
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|a The leaves of Piscidia carthagenensis provided new 7,2',5'-trimethoxy-3',4'-methylenedioxyisoflavone (1), admixed with known 6,7-dimethoxy-3',4'-methylenedioxyisoflavone (2), and 5,4'-dihydroxy-7,2',5'-trimethoxyisoflavone (3), which were separated by extensive fractional solubillization. Selective irradiation of the H-5 "singlet" of 2 allowed distinction of the two methoxy group signals, whose chemical shift difference is only 0.004 ppm (1.2 Hz at 300 MHz). The (1)H and (13)C NMR data of 3 were assigned with the aid of HETCOR and gHMBC measurements. Although 1 looked inhomogeneous in the solid state, its solution structure followed from (1)H NMR measurements, where it looked homogeneous. To clarify the solid state aspect and confirm the structure of 1, two types of crystals were mechanically separated and subjected to single crystal X-ray diffraction measurements. This study revealed polymorphism because of the concomitant presence of orthorhombic and triclinic crystals, but showed no atropisomerism. The structure of 3 was also verified by X-ray diffraction crystallography
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|a Letter
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|a Research Support, Non-U.S. Gov't
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|a Isoflavones
|2 NLM
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|a Hydrogen
|2 NLM
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|a 7YNJ3PO35Z
|2 NLM
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| 700 |
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|a Toscano, Rubén A
|e verfasserin
|4 aut
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|a Hernández-Barragán, Angelina
|e verfasserin
|4 aut
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|a Alvarez-Cisneros, Celina
|e verfasserin
|4 aut
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|a Joseph-Nathan, Pedro
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 53(2015), 10 vom: 02. Okt., Seite 860-5
|w (DE-627)NLM098179667
|x 1097-458X
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|g volume:53
|g year:2015
|g number:10
|g day:02
|g month:10
|g pages:860-5
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|u http://dx.doi.org/10.1002/mrc.4278
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