Dataset

olindenone F (6)[TOCSY]

This dataset contains NMR spectra obtained for the sample -olindenone F (6)date: 2018-09-17T08:08:30.000ZisFt: falsename: olindenone F (6)/0phc0: 143.0251phc1: 16.54033type: NMR FIDDECIM: 1240aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 0.000031000000000000015isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: 1dgroupDelay: 76temperature: 300.0007spectrumSize: 65536baseFrequency: 799.71digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 128pulseSequence: zg30spectralWidth: 20.1684769002643numberOfPoints: 9relaxationTime: 1acquisitionTime: 0.0002480000000000001frequencyOffset: 4938.208999988092originFrequency: 799.714938209pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2018-09-17T08:08:30.000ZisFt: truename: olindenone F (6)/0phc0: 143.0251phc1: 16.54033type: NMR SpectrumDECIM: 1240aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 2.5210596125330373isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: 1dgroupDelay: 76temperature: 300.0007spectrumSize: 65536baseFrequency: 799.71fieldStrength: 18.78246499883878numberOfScans: 128pulseSequence: zg30spectralWidth: 20.1684769002643numberOfPoints: 9relaxationTime: 1acquisitionTime: 0.0002480000000000001frequencyOffset: 4938.208999988092originFrequency: 799.714938209pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2018-10-01T04:05:40.000ZisFt: falsename: olindenone F (6)/0phc0: 0,0phc1: 0,0type: NMR FIDDECIM: 2080aqMod: 3isFid: truetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 20nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.000052000000000000146isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: cosygroupDelay: 68temperature: 300.0017spectrumSize: 2048,1024baseFrequency: 799.71,799.71digitalFilter: 68fieldStrength: 18.78246499883878numberOfScans: 80pulseSequence: cosygpppqf,cosygpppqfspectralWidth: 12.0235352144509,12.0004574117361numberOfPoints: 9relaxationTime: 2acquisitionTime: 0.00041600000000000117frequencyOffset: 3598.6949999369244,3598.6949999369244originFrequency: 799.713598695,799.713598695pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,80windowMultiplicationMode: 4,4date: 2018-10-01T04:05:40.000ZisFt: truename: olindenone F (6)/0phc0: 0,0phc1: 0,0type: NMR SpectrumDECIM: 2080aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 20nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 1.5029419018063626isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: cosygroupDelay: 68temperature: 300.0017spectrumSize: 2048,1024baseFrequency: 799.71,799.71fieldStrength: 18.78246499883878numberOfScans: 80pulseSequence: cosygpppqf,cosygpppqfspectralWidth: 12.0235352144509,12.0004574117361numberOfPoints: 9relaxationTime: 2acquisitionTime: 0.00041600000000000117frequencyOffset: 3598.6949999369244,3598.6949999369244originFrequency: 799.713598695,799.713598695pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,80windowMultiplicationMode: 4,4date: 2018-09-18T10:45:38.000ZisFt: falsename: olindenone F (6)/0phc0: 32.81129,-64.75426phc1: 263.4537,0type: NMR FIDDECIM: 2080aqMod: 3isFid: truetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 20nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 0.00005200000000000015isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: hmbcgroupDelay: 68temperature: 300.0002spectrumSize: 2048,1024baseFrequency: 799.71,201.087239442digitalFilter: 68fieldStrength: 18.78246499883878numberOfScans: 96pulseSequence: hmbcetgpl3nd,hmbcetgpl3ndspectralWidth: 12.0235352144509,220.020740237179numberOfPoints: 31relaxationTime: 2acquisitionTime: 0.0015600000000000045frequencyOffset: 3598.6949999369244,20108.724000010625originFrequency: 799.713598695,201.107348166pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,4date: 2018-10-01T13:01:29.000ZisFt: truename: olindenone F (6)/0phc0: 0,0phc1: 0,0type: NMR SpectrumDECIM: 2080aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.5DSPFVS: 21nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 1.5029416012194isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: hsqcgroupDelay: 76temperature: 300.0003spectrumSize: 1024,1024baseFrequency: 799.71,201.087239442fieldStrength: 18.78246499883878numberOfScans: 128pulseSequence: hsqcedetgpsp.3,hsqcedetgpsp.3spectralWidth: 12.0235328097552,180.166414194063numberOfPoints: 9relaxationTime: 1.5acquisitionTime: 0.00041599999999999987frequencyOffset: 3758.636999918963,15081.543000007969originFrequency: 799.713758637,201.102320985pulseStrength90: 25000experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,1024lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4date: 2018-10-02T17:09:47.000ZisFt: falsename: olindenone F (6)/0phc0: 153.9246,-80.24457phc1: 4.354218,-180type: NMR FIDDECIM: 2320aqMod: 3isFid: truetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.00005800000000000001isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: noesygroupDelay: 76temperature: 300.0009spectrumSize: 2048,1024baseFrequency: 799.71,799.71digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 16pulseSequence: noesyphpr,noesyphprspectralWidth: 10.779719070815,10.779719070815numberOfPoints: 50relaxationTime: 2acquisitionTime: 0.0028420000000000003frequencyOffset: 3758.636999918963,3758.636999918963originFrequency: 799.713758637,799.713758637pulseStrength90: 23584.90566037736experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4date: 2018-10-02T17:09:47.000ZisFt: truename: olindenone F (6)/0phc0: 153.9246,-80.24457phc1: 4.354218,-180type: NMR SpectrumDECIM: 2320aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.21999426675132652isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: noesygroupDelay: 76temperature: 300.0009spectrumSize: 2048,1024baseFrequency: 799.71,799.71fieldStrength: 18.78246499883878numberOfScans: 16pulseSequence: noesyphpr,noesyphprspectralWidth: 10.779719070815,10.779719070815numberOfPoints: 50relaxationTime: 2acquisitionTime: 0.0028420000000000003frequencyOffset: 3758.636999918963,3758.636999918963originFrequency: 799.713758637,799.713758637pulseStrength90: 23584.90566037736experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4date: 2018-09-17T07:14:38.000ZisFt: falsename: olindenone F (6)/0phc0: -24.75482,104.3893phc1: 3.182746,-180type: NMR FIDDECIM: 2080aqMod: 3isFid: truetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.000051999999999999875isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: tocsygroupDelay: 76temperature: 300.0011spectrumSize: 1024,1024baseFrequency: 799.71,799.71digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 8pulseSequence: dipsi2gpphpr,dipsi2gpphprspectralWidth: 12.0235328217787,12.0235328097552numberOfPoints: 17relaxationTime: 1acquisitionTime: 0.000831999999999998frequencyOffset: 3757.8372899815804,3758.636999918963originFrequency: 799.71375783729,799.713758637pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4date: 2018-09-17T07:14:38.000ZisFt: truename: olindenone F (6)/0phc0: -24.75482,104.3893phc1: 3.182746,-180type: NMR SpectrumDECIM: 2080aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 0.7514708013611687isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: tocsygroupDelay: 76temperature: 300.0011spectrumSize: 1024,1024baseFrequency: 799.71,799.71fieldStrength: 18.78246499883878numberOfScans: 8pulseSequence: dipsi2gpphpr,dipsi2gpphprspectralWidth: 12.0235328217787,12.0235328097552numberOfPoints: 17relaxationTime: 1acquisitionTime: 0.000831999999999998frequencyOffset: 3757.8372899815804,3758.636999918963originFrequency: 799.71375783729,799.713758637pulseStrength90: 23562.6767200754experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4

Chemical Information

molecular Image
InChI InChI=1S/C21H34O5/c1-12-8-15(22)9-16-13(2)20(4,6-7-21(12,16)5)11-25-18-10-17(23)19(24)14(3)26-18/h8,13-14,16-19,23-24H,6-7,9-11H2,1-5H3/t13-,14?,16+,17-,18-,19+,20-,21-/m1/s1
SMILES CC1=CC(=O)C[C@H]2[C@@H](C)[C@@](C)(CO[C@H]3C[C@@H](O)[C@@H](O)C(C)O3)CC[C@]12C
InChI Key HAWOLRYNIANOLV-BYLCVVPISA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p20.s91.d526
License URL
Source https://nmrxiv.org/D526
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-mol3895 (Unknown Molecule)
    • Field Value
    Measurement Technique total correlation spectroscopy
    Measurement Variables
    NMR solvent : MeOD

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

    NMR spectrum by dimensionality : 2

    NMR probe : Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)

    Temperature : 300.0011 K

    magnetic field strength : 18.78246499883878 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : ['dipsi2gpphpr', 'dipsi2gpphpr']

    Spectral Width : [12.0235328217787, 12.0235328097552]

    number of data points : 17 points

    relaxation time measurement : 1 seconds

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