Search results for "1H and 13C"

showing 4 items of 4 documents

Clerodane diterpenoids from Salvia splendens.

2006

Four new clerodane diterpenoids, salvisplendins A-D (1-4), have been isolated from an acetone extract of the flowers of SalVia splendens, together with an artifact (5), arising from salvisplendin D (4) by addition of diazomethane, and the already known clerodane olearin (6). The structures of the new compounds (1-5) were established mainly by 1D and 2D NMR spectroscopic studies and, in the case of salvisplendin A (1), by chemical correlation with splenolide B (7). Complete 1H and 13C NMR assignments for olearin (6), not published hitherto, are also reported.

StereochemistryPharmaceutical ScienceFlowersSalviaAnalytical ChemistryDiterpenes Clerodanechemistry.chemical_compoundFour new clerodane diterpenoids salvisplendins A-D (1-4) have been isolated from an acetone extract of the flowers of SalVia splendens together with an artifact (5) arising from salvisplendin D (4) by addition of diazomethane and the already known clerodane olearin (6). The structures of the new compounds (1-5) were established mainly by 1D and 2D NMR spectroscopic studies and in the case of salvisplendin A (1) by chemical correlation with splenolide B (7). Complete 1H and 13C NMR assignments for olearin (6) not published hitherto are also reportedDrug DiscoveryOrganic chemistrySalviaNuclear Magnetic Resonance BiomolecularPharmacologychemistry.chemical_classificationPlants MedicinalbiologyMolecular StructureChemistryDiazomethaneOrganic ChemistryCarbon-13 NMRbiology.organism_classificationChemical correlationTerpenoidComplementary and alternative medicineItalyMolecular MedicineDiterpeneTwo-dimensional nuclear magnetic resonance spectroscopyLactoneJournal of natural products
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NMR structure determination of (11E)-trinervita-1(14),2,11-triene, a new diterpene from sexual glands of termites

2005

Graphical Abstract Full-size image; International audience; Female alates of Nasutitermes ephratae termites from Guadeloupe and Nasutitermes sp. from Brazil produce a diterpene hydrocarbon of the molecular formula C20H30 as the main component of their tergal gland secretion. Analysis of NMR, IR, and mass spectra of the diterpene led to a structure of (11E)-trinervita-1(14),2,11-triene. Based on a comparison with the published oxygenated trinervitane skeleton from termites we prefer the enantiomer with absolute configurations (4R,7S,8R,15S,16S). The suggested structure is supported by ab initio quantum chemical calculation of 1H and 13C chemical shifts for the optimized geometry of the molec…

0106 biological sciencesStereochemistryAb initio1H and 13C010402 general chemistry01 natural sciencesBiochemistry1H-RMN; 13C-RMNTerpene03 medical and health scienceschemistry.chemical_compoundDrug Discovery[SDV.IDA]Life Sciences [q-bio]/Food engineeringNasutitermesOrganic chemistryMoleculeDITERPENE HYDROCARBONPHEROMONE[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringGLANDE TERGALE FEMELLEDITERPENIQUE030304 developmental biologyFEMALE TERGAL GLANDchemistry.chemical_classification0303 health sciencesbiology010405 organic chemistryChemical shiftOrganic ChemistryTERMITEGeneral Medicinebiology.organism_classification0104 chemical sciences010602 entomologyHydrocarbonchemistryTRINERVITANEMass spectrumEnantiomerDiterpene
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Structural investigations on diorgano- and triorganotin(IV) derivatives of [meso-tetra(4-sulfonatophenyl)porphine]metal chlorides.

2006

Abstract Several new complexes of organotin(IV) moieties with MCln[meso-tetra(4-sulfonatophenyl)porphine], (R2Sn)2MCln[meso-tetra(4-sulfonatophenyl)-porphinate]s and (R3Sn)4MCln [meso-tetra(4-sulfonatophenyl)porphinate]s, [M = Fe(III), Mn(III): n = 1, R = Me, n-Bu; Ph; M = Sn(IV): n = 2, R = Me, n-Bu] have been synthesized and their solid state configuration investigated by infrared (IR) and Mossbauer spectroscopy, and by 1H and 13C NMR in D2O. The electron density on the metal ion coordinated inside the porphyrin ring is not influenced by the organotin(IV) moieties bonded to the oxygen atoms of the side chain sulfonatophenyl groups, as it has been inferred on the basis of Mossbauer spectro…

ONIOMLigandPorphinateOrganic ChemistryInorganic chemistryMo¨ssbauerInfrared spectroscopychemistry.chemical_elementDFT calculation1H and 13C NMROrganotin(IV)Carbon-13 NMRBiochemistryPorphyrinInorganic ChemistryTrigonal bipyramidal molecular geometrychemistry.chemical_compoundCrystallographychemistryOctahedronMaterials ChemistryPhysical and Theoretical ChemistryTinInfrared
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Complete 1H and 13C NMR assignments of clerodane diterpenoids of Salvia splendens.

2006

Unambiguous and complete assignments of 1H and 13C NMR chemical shifts for five clerodane diterpenes, four of them isolated from Salvia splendens (salviarin, splendidin and splenolides A and B) and one obtained by acetylation of splenolide A, are presented. The assignments are based on 2D shift-correlated [1H,1H–COSY, 1H,13C-gHSQC–1J(C,H) and 1H,13C-gHMBC-nJ(C,H) (n = 2 and 3)] and nuclear Overhauser effect (NOE) experiments. The conformation of the rings of these compounds is supported by the 3J(H,H) values and NOE results. Copyright © 2006 John Wiley & Sons, Ltd.

Carbon IsotopesMagnetic Resonance SpectroscopybiologyStereochemistryChemistryChemical shiftAcetylationGeneral ChemistryNuclear Overhauser effectCarbon-13 NMRSalviabiology.organism_classificationDiterpenes ClerodaneUnambiguous and complete assignments of 1H and 13C NMR chemical shifts for five clerodane diterpenes four of them isolated from Salvia splendens (salviarin splendidin and splenolides A and B) and one obtained by acetylation of splenolide A are presented. The assignments are based on 2D shiftcorrelated [1H1H–COSY 1H13C-gHSQC–1J(CH) and 1H13C-gHMBC-nJ(CH) (n = 2 and 3)] and nuclear Overhauser effect (NOE) experiments. The conformation of the rings of these compounds is supported by the 3J(HH) values and NOE results. Copyright  2006 John Wiley & Sons LtdClerodane DiterpenesProton NMRGeneral Materials ScienceSalviaHydrogenMagnetic resonance in chemistry : MRC
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