Lentinellic Acid, a Biologically Active Protoilludane Derivative from Lentinellus Species (Basidiomycetes) [1]

1988 ◽  
Vol 43 (3-4) ◽  
pp. 177-183 ◽  
Author(s):  
A. Stärk ◽  
T. Anke ◽  
U. Mocek ◽  
W. Steglich ◽  
A. Kirfel ◽  
...  
Keyword(s):  
Single Crystal ◽  
Biologically Active ◽  
Spectroscopic Methods ◽  
Submerged Cultures ◽  
X Ray ◽  
Lentinellus Ursinus

A new antimicrobial and cytotoxic sesquiterpenoid, lentinellic acid (1), has been isolated from submerged cultures of Lentinellus ursinus and L. omphalodes. The structure of the antibiotic was elucidated by spectroscopic methods and a single crystal X-ray analysis. 1 may be formed biogenetically by condensation of a protoilludane aldehyde 4 with a malonate unit.

scholarly journals Structures, Chemical Conversions, and Cytotoxicity of Tricholopardins C and D, Two Tricholoma Triterpenoids from the Wild Mushroom Tricholoma pardinum

2021 ◽  
Author(s):  
Chen Shi ◽  
Yue-Ling Peng ◽  
Juan He ◽  
Zheng-Hui Li ◽  
Ji-Kai Liu ◽  
...  
Keyword(s):  
Hela Cell ◽  
Single Crystal ◽  
Cell Lines ◽  
Cell Apoptosis ◽  
Spectroscopic Methods ◽  
Wild Mushroom ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hela Cell Lines ◽  
Mcf 7

AbstractTwo undescribed Tricholoma triterpenoids, namely tricholopardins C (1) and D (2), were isolated from the wild mushroom Tricholoma pardinum. Their structures with absolute configurations were elucidated by spectroscopic methods, as well as the single crystal X-ray diffraction. Compounds 1 and 2 were further obtained by chemical conversions from the known analogues. Compound 1 showed significant cytotoxicity to MCF-7 and Hela cell lines with IC50 values of 4.7 μM and 9.7 μM, respectively. Its mechanism of inducing MCF-7 cell apoptosis was studied briefly. Graphical Abstract

The Constituents of Marine Sponges. V. The Isolation From Chelonaplysilla violacea (Dendroceratida) of Aplyviolene and Other Diterpenes, and the Determination of the Crystal Structure of Aplyviolene

1990 ◽  
Vol 43 (11) ◽  
pp. 1861 ◽  
Author(s):  
TW Hambley ◽  
A Poiner ◽  
WC Taylor
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Marine Sponge ◽  
Marine Sponges ◽  
Spectroscopic Methods ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Deep Violet

From the deep violet, encrusting marine sponge Chelonaplysilla violacea, two rearranged spongian diterpenes, aplyviolene, (1R*,1′S*,3?aR*,5R*,6R*,8R*,8′aS*)-3-oxo-8-(1′,4′,4′-trimethyl-8′-methylenedecahydroazulen-1′-yl)-2,7-dioxabicyclo[3.2.1]oct-6-yl acetate (1), the acetoxy derivative, aplyviolacene (2), (5R*,8S*,9S*,10R*,13S*,14R* ,15S*,16R*)-spongian-15,16-diyl diacetate (3) and (5R*,8S*,9S*,10R*,13S*,14R*)-spongian-16-one (4) were isolated. The structures were determined by spectroscopic methods, and the structure of aplyviolene was confirmed by a single-crystal X-ray determination. The crystal structure was refined to a residual of 0.036 for 1125 independent observed reflections. The crystals were orthorhombic, space group P212121 with a 8.098(1), b 11.628(1), c 21.774(3)Ǻ.

Sesquiterpene Lactones from Elephantopus scaber

2005 ◽  
Vol 60 (2) ◽  
pp. 200-204 ◽  
Author(s):  
Ni Ni Than ◽  
Serge Fotso ◽  
Madhumati Sevvana ◽  
George M. Sheldrick ◽  
Heinz H. Fiebig ◽  
...  
Keyword(s):  
Single Crystal ◽  
Sesquiterpene Lactones ◽  
Spectroscopic Methods ◽  
X Ray ◽  
Whole Plant ◽  
Elephantopus Scaber ◽  
Ethyl Hexadecanoate ◽  
Reported Data ◽  
Acetone Extracts ◽  
Ethyl Octadecanoate

The ethanolic and acetone extracts of the whole plant of Elephantopus scaber were found to contain ethyl hexadecanoate, ethyl-9,12-octadecadienoate, ethyl-(Z)-9-octadecenoate, ethyl octadecanoate, lupeol, stigmasterol, stigmasterol glucoside, deoxyelephantopin (1) and two new germacranolide sesquiterpene lactones named 17,19-dihydrodeoxyelephantopin (2) and iso-17,19- dihydrodeoxyelephantopin (3) whose stereostructures were determined by spectroscopic methods, comparison with reported data and single-crystal X-ray analysis.

Anagostic Interactions in Alkyl-Fluorenyl-Substituted N‐Heterocyclic Carbene Complexes of Palladium(II)

2020 ◽  
Vol 73 (6) ◽  
pp. 579
Author(s):  
Hamzé Almallah ◽  
Eric Brenner ◽  
Dominique Matt ◽  
Mohamad Jahjah ◽  
Akram Hijazi ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Single Crystal ◽  
Spectroscopic Methods ◽  
Palladium Atom ◽  
Ring Plane ◽  
Carbene Complexes ◽  
X Ray ◽  
Methylene Groups ◽  
Coordination Plane

Two imidazolylidene (Im) complexes of the general formula trans-[PdX2(Im)(pyridine)] (X=Cl (2), Br (3)), in which the N-heterocyclic carbene ligand has one of its nitrogen atoms substituted by a bulky 9-propyl-9-fluorenyl group (PrF), have been prepared and fully characterised by spectroscopic methods and single-crystal X-ray structure analyses. In the solid state, the Im ring plane and the coordination plane of each complex are nearly orthogonal, thereby minimising the steric interactions between the N-substituents and the halide atoms. In both structures two methylenic C–H bonds sit near the dz2 axis point to the palladium atom, resulting in CH⋯Pd separations of 2.58/2.95Å in 2 and 2.74/2.74Å in 3. NMR measurements and DFT calculations indicate that these methylene groups are involved in anagostic CH⋯M interactions but not in significant H⋯X bonding.

Synthese und Molekülstruktur des [α-(Dichlormethylsilyl)ethyl]- dichlorboran-dimethylsulfid / Synthesis and Molecular Structure of [α-(Dichloromethylsilyl)ethyl]- dichloroborane-dimethylsulfide

1999 ◽  
Vol 54 (5) ◽  
pp. 624-626 ◽  
Author(s):  
Lutz Ruwisch ◽  
Ralf Riedel ◽  
Uwe Klingebiel ◽  
Mathias Noltemeyer
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Markovnikov Rule

[α-(Dichloromethylsilyl)ethyl]-dichloroborane-dimethylsulfide has been synthesized by the reaction of dichloromethylvinylsilane with dichloroborane-dimethylsulfide and its molecular structure determined by single crystal X-ray diffraction and by spectroscopic methods. Following the Markovnikov rule, a chiral methine group is formed as a bridge between silicon and boron.

Isolation, Characterization and Crystal Structure of Natural Eremophilenolide from Ligularia sagitta

2004 ◽  
Vol 59 (8) ◽  
pp. 921-924 ◽  
Author(s):  
Lyi Li ◽  
Li-Wen Xu ◽  
Yan-Feng Jiang ◽  
Chan-Juan Xi ◽  
Han-Qing Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Aerial Parts

AbstractA new eremophilenolide 1β ,10β -epoxy-6β -acetoxy-3β -angeloyloxy-8β -hydrox y-eremophil- 7(11)-en-8,12α-olide (1), together with liguhodgsonal (2), esculetin (3) and β -sitosterol (4), was isolated from the aerial parts of Ligularia sagitta. The structure of the new constituent (1) was elucidated by spectroscopic methods and confirmed by single-crystal X-ray diffraction.

Synthesis and molecular structures of N,N-dialkyl-4-nitrosoaniline adducts of formally d6 metalloporphyrins of ruthenium and cobalt

2001 ◽  
Vol 05 (09) ◽  
pp. 702-707 ◽  
Author(s):  
LI CHEN ◽  
JESSE B. FOX ◽  
GEUN-BAE YI ◽  
MASOOD A. KHAN ◽  
GEORGE B. RICHTER-ADDO
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Molecular Structures ◽  
Spectroscopic Methods ◽  
X Ray ◽  
X Ray Crystallography ◽  
High Yields ◽  
Solid State Structures

Para-aminosubstituted nitrosoarenes react with Ru ( CO )( OEP ) or [ Co ( TPP )( THF )2] SbF 6 (OEP2- = 2,3,7,8,12,13,17,18-octaethylporphyrinato dianion, TPP2- = 5,10,15,20-tetraphenylporphyrinato dianion) to generate Ru ( OEP )( ONC 6 H 4 NMe 2)2 and [ Co ( TPP )( ONC 6 H 4 NR 2)2] SbF 6 ( R = Me , Et ), respectively, in fair to high yields. These N -bound nitrosoarene complexes have been characterized by spectroscopic methods. The complexes Ru ( OEP )( ONC 6 H 4 NMe 2)2 and [ Co ( TPP )( ONC 6 H 4 NMe 2)2] ClO 4 have also been characterized by single-crystal X-ray crystallography. Their structures represent the first reported solid-state structures of Ru and Co porphyrins containing C-nitroso ligands.

Preparation and Crystal Structures of Low-Valent Zirconocene Complexes Containing Tetramethyl(phenyl)cyclopentadienyl Ligands

2007 ◽  
Vol 72 (5-6) ◽  
pp. 679-696 ◽  
Author(s):  
Michal Horáček ◽  
Jiří Pinkas ◽  
Jiří Kubišta ◽  
Ivana Císařová ◽  
Róbert Gyepes ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Spectroscopic Methods ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Cyclopentadienyl Ligands ◽  
Low Valent

Zirconocene complex [ZrCl2(η5-C5Me4Ph)2] (1) prepared by metathesis of the appropriate lithium cyclopentadienide and ZrCl4 was reduced with magnesium in tetrahydrofuran in the presence of excess bis(trimethylsilyl)acetylene, yielding the low-valent complex [Zr(η5-C5Me4Ph)2- (η2-Me3SiC≡CSiMe3)] (2). However, in addition to 2, the reduction afforded an unexpected Zr(II) complex [Zr(η5-C5Me4Ph)2(s-trans-η4-buta-1,3-diene)] (3). Compounds 1-3 were characterized by spectroscopic methods and by X-ray single-crystal diffraction.

scholarly journals Jatroidaine A: a New Tetranortirucallane Type Triterpene from Jatropha multifida

2021 ◽  
Vol 15 (5) ◽  
pp. 408-413
Author(s):  
Fei Li ◽  
Liang Ma ◽  
Jinyuan Zhang ◽  
Xueling Qiao ◽  
Dingshan Zhang ◽  
...  
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Absolute Configuration ◽  
Thioredoxin Reductase ◽  
Spectroscopic Methods ◽  
Significant Activity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Inhibitory Activities ◽  
Jatropha Multifida

Jatroidaine A (1), a new tetranortirucallane-type triterpene, and two known analogues (2−3) were isolated from the leaves and branches of Jatropha multifida. Their structures were fully elucidated by extensive spectroscopic methods and comparison to known compounds. The absolute configuration of 1 was assigned by single-crystal X-ray diffraction analysis. All compounds were evaluated for their anti-inflammatory and thioredoxin reductase (TrxR) inhibitory activities. Unfortunately, no significant activity was observed.

scholarly journals Structure of Biologically Active Benzoxazoles: Crystallography and DFT Studies

2021 ◽  
Vol 68 (1) ◽  
pp. 144-150
Author(s):  
Una Glamočlija ◽  
Selma Špirtović-Halilović ◽  
Mirsada Salihović ◽  
Iztok Turel ◽  
Jakob Kljun ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Energy Gap ◽  
Molecular Geometry ◽  
Biologically Active ◽  
Basis Set ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Experimental Values ◽  
Homo Lumo

Using X-ray single crystal diffraction, the crystal structures of biologically active benzoxazole derivatives were determined. DFT calculation was performed with standard 6-31G*(d), 6-31G** and 6-31+G* basis set to analyze the molecular geometry and compare with experimentally obtained X-ray crystal data of compounds. The calculated HOMO-LUMO energy gap in compound 2 (2-(2-hydroxynaphtalen-1-yl)-4-methyl-7-isopropyl-1,3-benzoxazol-5-ol) is 3.80 eV and this small gap value indicates that compound 2 is chemically more reactive compared to compounds 1 (4-methyl-2-phenyl-7-isopropyl-1,3-benzoxazol-5-ol) and 3 (2-(4-chlorophenyl)-4-methyl-7-isopropyl- 1,3-benzoxazol-5-ol). The crystal structures are stabilized by both intra- and intermolecular hydrogen bonds in which an intermolecular O–H⋅⋅⋅N hydrogen bond generates N3 and O7 chain motif in compounds 1, 2, and 3, respectively. The calculated bond lengths and bond angles of all three compounds are remarkably close to the experimental values obtained by X-ray single crystal diffraction.

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