Structure of the dimethylsulfoxide molecule in neutral,acid, and alkaline media

The quantum-chemical SCF LCAO-MO calculations have been carried out in the MNDO/H approximation for the dimethylsulfoxide (DMSO) molecule, its anion [CH ₃ CH ₂ SO]^–, and DMSO adducts with HCL, OH^–, and H₂O. Bond lengths, interbond angles, effective charges on atoms, bond orders, ionization potentials, formation enthalpies, and dipole moments have been calculated. The comparative analysis of quantum-chemical and structural data of the compounds has been carried out.Baikov Institute of Metallurgy, Russian Academy of Sciences. Moscow Mendeleev Chemical Engineering Institute. Translated fromZhurnal Strukturnoi Khimii, Vol. 34, No. 3, pp. 31–35, May–June 1993.Translated by L. Smolina     

Reductive amination ofl-menthol by aliphatic nitriles

The reductive amination ofl-menthol with aliphatic nitriles has been studied. A probable scheme of the mechanism of the reaction has been put forward and the stereochemical composition of its products has been determined. It has been established with the aid of the¹³C NMR method that the reaction forms a mixture of isomeric optically-active N-alkylmenthyl-, -neomenthyl-, -isomenthyl-, and-neoisomenthyl-amines in a ratio of 54:24:17:5. The absolute configurations of the amines obtained have been determined.Institute of Physical Organic Chemistry, Academy of Sciences of the Belorussian SSR, Minsk. Institute of Chemical and Biological Physics, Academy of Sciences of the Estonian SSR, Tallin. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 312–317, May–June, 1981.     

Synthesis and crystal structure of 4-acetoxy-5,6-dihydro-5,5-dinitro-2H-1,3-oxazineN-oxide

A novel heterocyclic compound, 4-acetoxy-5,6-dihydro-5,5-dinitro-2H-1,3-oxazineN-oxide, has been synthesized by the reaction of the dipotassium salt of 1,1,5,5-tetranitro-3-oxapentane with aqueous acetic acid. The synthesized compound has been studied by X-ray diffraction analysis.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2207–2210, December, 1994.We would like to thank G. V. Lagodzinskaya (Institute of Chemical Physics in Chernogolovka, Russian Academy of Sciences) for recording and interpreting¹H NMR spectra, A. M. Korolev (Institute of Chemical Physics in Chernogolovka, Russian Academy of Sciences) for helpful discussion, and V. I. Fetisov (Institute of Physiologically Active Compounds, Russian Academy of Sciences) for performing quantum-chemical calculations by the AM1 SCF MO LCAO method.     

Components ofHaplophyllum obtusifolium

Skimmianine, folimine, benzamide, and new alkaloid haplotusine (mp 118–119°C, C₁₁H₁₁NO₃, M⁺ 205) have been isolated from the epigeal part ofHaplophyllum obtusifolium Ledeb. growing in the environs of Kora-Koly, Turkmen SSR. By the analysis of spectral characteristics it has been established that haplotusine has the structure of 1,4-dimethoxy-2-quinolone.Institute of the Chemistry of Plant Substances, Academy of Sciences of the Uzbek SSR, Tashkent. Translated from Khimiya Prirodnykh Soedinenii, No. 5, pp. 635–636, September–October, 1984.     

Structure of the new germacranolide shonachalin A fromArtemisia fragrans

The structure of a new germacranolide — shonachalin A isolated fromArtemesia fragrans — has been established on the basis of chemical and spectroscopic (IR, UV, and¹H and¹³C NMR) results.V. L. Komarov Institute of Botany, Academy of Sciences of Azerbaidzhan SSR, Baku. Translated from Khimiya Prirodnykh Soedinenii, No. 2, pp. 196–199, March–April, 1985.     

Isolation and antibiotic properties of cis-hexadeca-4,7,10,13-tetraenoic acid from the algaScenedesmus obliquus UA-2-6

Summary By the method of checking antibiotic activity, conditions have been selected for the isolation of cis-hexadeca-4,7,10,13-tetraenoic acid from the fatty-acid fractions of the lipids ofScenedesmus obliquus UA-2-6. Its structure has been confirmed and it has been established that this acid possesses a broad spectrum of antibiotic action.Institute of Microbiology, Academy of Sciences of the Uzbek SSR, Tashkent. Institute of the Chemistry of Plant Substances, Academy of Sciences of the Uzbek SSR, Tashkent. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 379–385, May–June, 1978.     

12-Epinapelline and its N-oxide fromAconitum baicalense

12-Epinapelline and its N-oxide have been isoated from the epigeal part ofAconitum baicalense Turcz. ex Rapaics (A. Czekanovskyi Steinb.). The structures of these compounds have been determined with the aid of two-dimensional¹H and¹³C NMR spectroscopy, and IR and mass spectrometry.Irkutsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences. Translated from Khimiya Prirodnykh Soedinenii, No. 6, pp. 888–892. November–December, 1993.     

Carbohydrates ofAllium. IX. Carbohydrate components ofAllium cepa

The carbohydrate components of the bulbs ofAllium cepa L. (white variety) have been characterized. It has been established that the main carbohydrate component is the ethanol-soluble fraction. Information has been obtained on the elementary compositions and origin of a number of fragments in the mass spectrum of the peracetate of 1^F-kestose.Deceased.Institute of the Chemistry of Plant Substances, Academy of Sciences of the Uzbek SSR, Tashkent. Translated from Khimiya Prirodnykh Soedinenii, No. 2, pp. 174–178, March–April, 1985.     

Dynamics of the accumulation of the alkaloids ofReseda luteola structure of lutine and lutinine

Summary The biosynthesis of the alkaloids ofAmmothamnus lehmannii Bge. have been studied by supplying the plants with [1,5-¹⁴C₂] cadaverine. It has been shown that cadaverine is a precursor of sophocarpidine, sophocarpine, and pachycarpine. Possible routes of interconversions have been studied by supplying the plants with the tritium-labelled alkaloids [³H] sophocarpine, [³H] matrine, and [³H] pachycarpine.V. I. Lenin Tashkent State University. Institute of Plant Biochemistry, Academy of Sciences of the German Democratic Republic, Halle. Translated from Khimiya Prirodnykh Soedinenii, No. 6, pp. 776–780, November–December, 1976.     

35Cl NQR spectra and molecular structure of cyclic chlorophosphoranes

The structure of chlorine-containing cyclic pentacoordinated phosphorus compounds has been studied by³⁵Cl NQR. The distortion of molecular geometry from trigonal bipyramid to tetragonal pyramid in going from monocyclic phosphoranes to spiro phosphoranes and the corresponding changes in the NQR spectrum are discussed.Perm State University. Institute of Organic Chemistry, Ukrainian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 34, No. 3, pp. 75–79, May–June 1993.Translated by L. Smolina     

Extract ofelaeagnus angustifolia flowers

A hexane extract ofElaegnus angustifolia flowers has been investigated, and the class and fatty acid compositions of its lipoids have been determined.Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent, fax (3712) 40 64 75. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 362–364, May–June, 1997.     

Isolation of an indanone fromEquisetum arvense and its crystal and molecular structure

Summary From the herbEquisetum arvense L. an indanone compound has been isolated for the first time for which the structure of 4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethylindanone has been established by spectroscopy and x-ray structural analysis.Irkutsk Institute of Organic Chemistry, Siberian Branch of the Academy of Sciences of the USSR. Institute of Applied Chemistry, Academy of Sciences of the Moldavian SSR, Kishinev. Translated from Khimiya Prirodnykh Soedinenii, No. 4, pp. 508–513, July–August, 1978.     

Trisulfated glycosides from the holothurianCucumaria japonica

Three new triterpene glycosides have been isolated from an alcoholic extract of the Pacific Ocean commercial holothurian Cucumaria japonica: cucumariosides A _T 1 (I), A _T 2 (II), and A _T 3 (III). The structures of these glycosides have been established by chemical and physical methods.Deceased.Pacific Ocean Institute of Bioorganic Chemistry, Far Eastern Branch, Russian Academy of Sciences, Vladivostok. Institute of Chemistry of Plant Substances, Academy of Sciences of the Uzbekistan Republic, Tashkent. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 369–374, May–June, 1993.     

The x-ray structural investigation of alkaloids I. Molecular structure and absolute configuration of (+)-cocculine

Summary An x-ray structural investigation of the alkaloid (+)-cocculine in the form of the hydrobromide has been performed. The bond lengths and valence angles are the usual ones. The conformations of the rings are: A — envelope⁴E; B — half-chair⁹T₅; C — half-chair¹⁰H₅. The absolute configuration 3R,5S has been established.Institute of Heteroorganic Compounds, Academy of Sciences of the USSR. Institute of the Chemistry of Plant Substances, Academy of Sciences of the Uzbek SSR. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 395–400, May–June, 1975.     

Phytoecdysteroids of plants of the genusRaphonticum II. Carthamosterone b fromRh. carthamoides

The structure of a new ecdysteroid — carthamosterone B, isolated from the seeds ofRhaponticum carthamoides — has been established from an investigation of its spectral characteristics.Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent, fax (3712) 40 64 75. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 395–396, May–June, 1997.     

Classification of heavy-metal fluorides. Fluorides with cation arrangement ofβ-K2UF6 type

Cation arrangement in some complex fluoride structures with U⁴⁺, Th⁴⁺, and Zr⁴⁺ dgering in composition, symmetry, and unit cell parameters is analyzed. In all structures investigated, we have isolated (using the CAS-PAN technique) a common structural fragment: planar close-packed cation nets (3³4² + 3⁶) characteristic of the high-symmetry -K₂UF₆ structure chosen as the standard. The whole set of close-filled cation planes is described. A cation-anion fragment — columns or ribbons of high-valent cation polyhedra — has been isolated which determines the main structural peculiarities.Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences. Institute of Crystallography, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 34, No. 5, pp. 126–132, September–October, 1993.Translated by T. Yudanova     

Triterpene glycosides ofThalictrum squarrosum I. Structure of squarrofuric acid

Squarrofuric acid has been isolated fromThalictrum squarrosum by the acid hydryolysis of a methanolic extract. It is suggested that is is an artefact formed on hydrolysis and has the structure of 3, 30-dihydroxy-22,25-epoxylanost-9(11)-en-21-oic acid.¹H and¹³C NMR spectra are given for squarrofuric acid and nine of its derivatives. The mass-spectral characteristics and physicochemical constants of the compounds studied are presented.Irkutsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR. Irkutsk State University. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 376–384, May–June, 1987.