Dataset

olindenone B (2)[NOESY]

This dataset contains NMR spectra obtained for the sample -olindenone B (2)date: 2016-06-16T18:57:59.000ZisFt: falsename: olindenone B (2)/0phc0: 300.1418phc1: 6.216319type: NMR FIDDECIM: 16aqMod: 3isFid: truetdOff: 0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12fnMode: undefinednucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00005879999999999994isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170experiment: 1dgroupDelay: -1temperature: 296.2spectrumSize: 65536baseFrequency: 500.13digitalFilter: 71.625fieldStrength: 11.746350827011339numberOfScans: 128pulseSequence: zg30spectralWidth: 17.0022630859004numberOfPoints: 65536relaxationTime: 1acquisitionTime: 3.853457999999996frequencyOffset: 3500.910000013846originFrequency: 500.13350091pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2016-06-16T18:57:59.000ZisFt: truename: olindenone B (2)/0phc0: 300.1418phc1: 6.216319type: NMR SpectrumDECIM: 16aqMod: 3isFid: falsetdOff: 0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12fnMode: undefinednucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00025943790472114745isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170experiment: 1dgroupDelay: -1temperature: 296.2spectrumSize: 65536baseFrequency: 500.13fieldStrength: 11.746350827011339numberOfScans: 128pulseSequence: zg30spectralWidth: 17.0022630859004numberOfPoints: 65536relaxationTime: 1acquisitionTime: 3.853457999999996frequencyOffset: 3500.910000013846originFrequency: 500.13350091pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1isFt: falsename: olindenone B (2)/0phc0: 0,0phc1: 0,0type: NMR FIDDECIM: 24,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,QFnucleus: 1H,1Hreverse: false,falsesolvent: CDCl3dimension: 2increment: 0.0000756000000000002,0.0006068752941176486isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: cosygroupDelay: -1,-1temperature: 296.3,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 12,16pulseSequence: cosygpqf,mlevtpspectralWidth: 13.224005783835,13.224005783835numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.1547532000000004frequencyOffset: 2616.5360000049986,2616.5360000049986originFrequency: 500.132616536,500.132616536pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone B (2)/0phc0: 0,0phc1: 0,0type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,QFnucleus: 1H,1Hreverse: false,falsesolvent: CDCl3dimension: 2increment: 0.006460188463036151,0.05185884621111765isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: cosygroupDelay: -1,-1temperature: 296.3,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13fieldStrength: 11.746350827011339numberOfScans: 12,16pulseSequence: cosygpqf,mlevtpspectralWidth: 13.224005783835,13.224005783835numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.1547532000000004frequencyOffset: 2616.5360000049986,2616.5360000049986originFrequency: 500.132616536,500.132616536pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: falsename: olindenone B (2)/0phc0: 0,0phc1: 0,0type: NMR FIDDECIM: 24,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,QFnucleus: 1H,13Creverse: false,falsesolvent: CDCl3dimension: 2increment: 0.0000756000000000002,0.0009704764890282157isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hmbcgroupDelay: -1,-1temperature: 300.5,300spectrumSize: 2048,1024baseFrequency: 500.13,125.757789digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 48,16pulseSequence: hmbcgplpndqf,spectralWidth: 13.224005783835,250.031444696677numberOfPoints: 4096,320relaxationTime: 1acquisitionTime: 0.3095820000000008frequencyOffset: 2616.5360000049986,12555.280705001336originFrequency: 500.132616536,125.770344280705pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,640lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: truename: olindenone B (2)/0phc0: 0,0phc1: 0,0type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,QFnucleus: 1H,13Creverse: false,falsesolvent: CDCl3dimension: 2increment: 0.0032293054417179487,0.7837976322779843isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hmbcgroupDelay: -1,-1temperature: 300.5,300spectrumSize: 2048,1024baseFrequency: 500.13,125.757789fieldStrength: 11.746350827011339numberOfScans: 48,16pulseSequence: hmbcgplpndqf,spectralWidth: 13.224005783835,250.031444696677numberOfPoints: 4096,320relaxationTime: 1acquisitionTime: 0.3095820000000008frequencyOffset: 2616.5360000049986,12555.280705001336originFrequency: 500.132616536,125.770344280705pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,640lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,3isFt: falsename: olindenone B (2)/0phc0: 56,0phc1: 0,0type: NMR FIDDECIM: 24,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,Echo-antiechonucleus: 1H,13Creverse: false,falsesolvent: CDCl3dimension: 2increment: 0.0000756000000000002,0.0012140470588235326isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hsqcgroupDelay: -1,-1temperature: 297.2,300spectrumSize: 1024,1024baseFrequency: 500.13,125.757789digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 32,16pulseSequence: hsqcetgpsi,hxcospectralWidth: 13.224005783835,179.891419338254numberOfPoints: 4096,256relaxationTime: 1acquisitionTime: 0.3095820000000008frequencyOffset: 2616.5360000049986,9379.17492599638originFrequency: 500.132616536,125.767168174926pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4isFt: truename: olindenone B (2)/0phc0: 56,0phc1: 0,0type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,Echo-antiechonucleus: 1H,13Creverse: false,falsesolvent: CDCl3dimension: 2increment: 0.0032293054417179487,0.7054565464245255isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,09experiment: hsqcgroupDelay: -1,-1temperature: 297.2,300spectrumSize: 1024,1024baseFrequency: 500.13,125.757789fieldStrength: 11.746350827011339numberOfScans: 32,16pulseSequence: hsqcetgpsi,hxcospectralWidth: 13.224005783835,179.891419338254numberOfPoints: 4096,256relaxationTime: 1acquisitionTime: 0.3095820000000008frequencyOffset: 2616.5360000049986,9379.17492599638originFrequency: 500.132616536,125.767168174926pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4isFt: falsename: olindenone B (2)/0phc0: 163.1174,90phc1: -11.70075,-180type: NMR FIDDECIM: 24,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,States-TTPInucleus: 1H,1Hreverse: false,falsesolvent: CDCl3dimension: 2increment: 0.0000756000000000002,0.00048511974921630217isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: noesygroupDelay: -1,-1temperature: 296.6,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: noesyph,spectralWidth: 13.224005783835,13.224005783835numberOfPoints: 2048,320relaxationTime: 1acquisitionTime: 0.1547532000000004frequencyOffset: 2616.5360000049986,2616.5360000049986originFrequency: 500.132616536,500.132616536pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4isFt: truename: olindenone B (2)/0phc0: 163.1174,90phc1: -11.70075,-180type: NMR SpectrumDECIM: 24,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0fnMode: undefined,States-TTPInucleus: 1H,1Hreverse: false,falsesolvent: CDCl3dimension: 2increment: 0.006460188463036151,0.041454563585689656isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: noesygroupDelay: -1,-1temperature: 296.6,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: noesyph,spectralWidth: 13.224005783835,13.224005783835numberOfPoints: 2048,320relaxationTime: 1acquisitionTime: 0.1547532000000004frequencyOffset: 2616.5360000049986,2616.5360000049986originFrequency: 500.132616536,500.132616536pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4

Chemical Information

molecular Image
InChI InChI=1S/C15H24O3/c1-10-13-7-12(18)6-11(8-16)15(13,3)5-4-14(10,2)9-17/h6,10,13,16-17H,4-5,7-9H2,1-3H3/t10-,13+,14-,15-/m1/s1
SMILES C[C@@H]1[C@@H]2CC(=O)C=C(CO)[C@@]2(C)CC[C@]1(C)CO
InChI Key BQMSTPGFFDEYBV-AQNFWKISSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p20.s93.d535
License URL
Source https://nmrxiv.org/D535
Version
Author Fernanda O. Chagas, Leandro M. Garrido, Raphael Conti, Ricardo M. Borges, Vincent A. Bielinski, Gabriel Padilla, Mônica T. Pupo
Maintainer
Language english
MetadataPublished 2023-12-21T09:36:15.000000Z
Related Molecule
  • nfdi4chem-mol5837 (Unknown Molecule)
    • Field Value
    Measurement Technique noesy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe : ['5 mm BBI 1H-BB-D Z-GRD Z8107/170', None]

    Temperature : [296.6, 300] K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : [64, 16] scans

    nuclear magnetic resonance pulse sequence : ['noesyph', None]

    Spectral Width : [13.224005783835, 13.224005783835]

    number of data points : [2048, 320] points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.