Dataset

olindenone G (7).tocsy

This dataset contains NMR spectra obtained for the sample -olindenone G (7)date: 2018-09-14T21:17:24.000ZisFt: falsename: olindenone G (7)/0phc0: 148.8723phc1: 7.344318type: 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: 300.0002spectrumSize: 65536baseFrequency: 799.71digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 125pulseSequence: zg30spectralWidth: 20.1684769002643numberOfPoints: 13relaxationTime: 1acquisitionTime: 0.0003720000000000002frequencyOffset: 4938.208999988092originFrequency: 799.714938209pulseStrength90: 23741.690408357077experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2018-09-14T21:17:24.000ZisFt: truename: olindenone G (7)/0phc0: 148.8723phc1: 7.344318type: NMR SpectrumDECIM: 1240aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 1.6807064083553582isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: 1dgroupDelay: 76temperature: 300.0002spectrumSize: 65536baseFrequency: 799.71fieldStrength: 18.78246499883878numberOfScans: 125pulseSequence: zg30spectralWidth: 20.1684769002643numberOfPoints: 13relaxationTime: 1acquisitionTime: 0.0003720000000000002frequencyOffset: 4938.208999988092originFrequency: 799.714938209pulseStrength90: 23741.690408357077experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2018-09-30T12:56:41.000ZisFt: falsename: olindenone G (7)/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: 0.00005200000000000015isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: cosygroupDelay: 68temperature: 300.0013spectrumSize: 2048,1024baseFrequency: 799.71,799.71digitalFilter: 68fieldStrength: 18.78246499883878numberOfScans: 80pulseSequence: cosygpppqf,cosygpppqfspectralWidth: 12.0235352144509,12.0004574117361numberOfPoints: 16relaxationTime: 2acquisitionTime: 0.0007800000000000023frequencyOffset: 3598.6949999369244,3598.6949999369244originFrequency: 799.713598695,799.713598695pulseStrength90: 23651.844843897823experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,80windowMultiplicationMode: 4,4date: 2018-09-30T12:56:41.000ZisFt: truename: olindenone G (7)/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: 0.8015690142967267isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: cosygroupDelay: 68temperature: 300.0013spectrumSize: 2048,1024baseFrequency: 799.71,799.71fieldStrength: 18.78246499883878numberOfScans: 80pulseSequence: cosygpppqf,cosygpppqfspectralWidth: 12.0235352144509,12.0004574117361numberOfPoints: 16relaxationTime: 2acquisitionTime: 0.0007800000000000023frequencyOffset: 3598.6949999369244,3598.6949999369244originFrequency: 799.713598695,799.713598695pulseStrength90: 23651.844843897823experimentNumber: 0acquisitionScheme: notPhaseSensitivelinearPredictionBin: 0,512lpNumberOfCoefficients: 0,80windowMultiplicationMode: 4,4date: 2018-09-18T15:29:40.000ZisFt: falsename: olindenone G (7)/0phc0: 46.137,61.21201phc1: -183.4385,0type: 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: 300spectrumSize: 2048,1024baseFrequency: 799.71,201.087239442digitalFilter: 68fieldStrength: 18.78246499883878numberOfScans: 32pulseSequence: hmbcetgpl3nd,hmbcetgpl3ndspectralWidth: 12.0235352144509,220.020740237179numberOfPoints: 16relaxationTime: 1.5acquisitionTime: 0.0007800000000000023frequencyOffset: 3598.6949999369244,20108.724000010625originFrequency: 799.713598695,201.107348166pulseStrength90: 23584.90566037736experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,244lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,4date: 2018-09-18T15:29:40.000ZisFt: truename: olindenone G (7)/0phc0: 46.137,61.21201phc1: -183.4385,0type: NMR SpectrumDECIM: 2080aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 20nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 0.8015690142967267isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: hmbcgroupDelay: 68temperature: 300spectrumSize: 2048,1024baseFrequency: 799.71,201.087239442fieldStrength: 18.78246499883878numberOfScans: 32pulseSequence: hmbcetgpl3nd,hmbcetgpl3ndspectralWidth: 12.0235352144509,220.020740237179numberOfPoints: 16relaxationTime: 1.5acquisitionTime: 0.0007800000000000023frequencyOffset: 3598.6949999369244,20108.724000010625originFrequency: 799.713598695,201.107348166pulseStrength90: 23584.90566037736experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,244lpNumberOfCoefficients: 0,32windowMultiplicationMode: 3,4date: 2018-09-15T09:14:51.000ZisFt: falsename: olindenone G (7)/0phc0: 30.26143,-174.7679phc1: 41.11133,0type: NMR FIDDECIM: 2080aqMod: 3isFid: truetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 0.00005199999999999981isComplex: trueprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: hsqcgroupDelay: 76temperature: 300.0013spectrumSize: 1024,1024baseFrequency: 799.71,201.087239442digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 32pulseSequence: hsqcetgpprsisp2.3,hsqcetgpprsisp2.3spectralWidth: 12.0235328268498,164.655398402522numberOfPoints: 12relaxationTime: 2acquisitionTime: 0.0005719999999999979frequencyOffset: 3757.5000000060754,15081.543000007969originFrequency: 799.7137575,201.102320985pulseStrength90: 23719.165085388995experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,1024lpNumberOfCoefficients: 0,60windowMultiplicationMode: 4,4date: 2018-09-15T09:14:51.000ZisFt: truename: olindenone G (7)/0phc0: 30.26143,-174.7679phc1: 41.11133,0type: NMR SpectrumDECIM: 2080aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,13Creverse: false,falsesolvent: MeODdimension: 2increment: 1.0930484388045274isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: hsqcgroupDelay: 76temperature: 300.0013spectrumSize: 1024,1024baseFrequency: 799.71,201.087239442fieldStrength: 18.78246499883878numberOfScans: 32pulseSequence: hsqcetgpprsisp2.3,hsqcetgpprsisp2.3spectralWidth: 12.0235328268498,164.655398402522numberOfPoints: 12relaxationTime: 2acquisitionTime: 0.0005719999999999979frequencyOffset: 3757.5000000060754,15081.543000007969originFrequency: 799.7137575,201.102320985pulseStrength90: 23719.165085388995experimentNumber: 0acquisitionScheme: Echo-antiecholinearPredictionBin: 0,1024lpNumberOfCoefficients: 0,60windowMultiplicationMode: 4,4date: 2018-10-02T20:08:41.000ZisFt: falsename: olindenone G (7)/0phc0: 0,90phc1: 0,-180type: NMR FIDDECIM: 2320aqMod: 3isFid: truetdOff: 0,0title: Parameter file, TopSpin 4.0.5DSPFVS: 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: 300.0018spectrumSize: 2048,1024baseFrequency: 799.71,799.71digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 16pulseSequence: noesyphpr,noesyphprspectralWidth: 10.779719070815,10.779719070815numberOfPoints: 5relaxationTime: 2acquisitionTime: 0.00023200000000000003frequencyOffset: 3758.636999918963,3758.636999918963originFrequency: 799.713758637,799.713758637pulseStrength90: 25000experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4date: 2018-10-02T20:08:41.000ZisFt: truename: olindenone G (7)/0phc0: 0,90phc1: 0,-180type: NMR SpectrumDECIM: 2320aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.5DSPFVS: 21nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 2.69492976770375isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: noesygroupDelay: 76temperature: 300.0018spectrumSize: 2048,1024baseFrequency: 799.71,799.71fieldStrength: 18.78246499883878numberOfScans: 16pulseSequence: noesyphpr,noesyphprspectralWidth: 10.779719070815,10.779719070815numberOfPoints: 5relaxationTime: 2acquisitionTime: 0.00023200000000000003frequencyOffset: 3758.636999918963,3758.636999918963originFrequency: 799.713758637,799.713758637pulseStrength90: 25000experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,512lpNumberOfCoefficients: 0,32windowMultiplicationMode: 4,4date: 2018-09-16T01:01:20.000ZisFt: falsename: olindenone G (7)/0phc0: -24.20735,104.0072phc1: 2.858876,-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: 300.0002spectrumSize: 1024,1024baseFrequency: 799.71,799.71digitalFilter: 76fieldStrength: 18.78246499883878numberOfScans: 64pulseSequence: dipsi2gpphpr,dipsi2gpphprspectralWidth: 12.0235328217787,12.0235328097552numberOfPoints: 13relaxationTime: 1acquisitionTime: 0.0006239999999999985frequencyOffset: 3757.8372899815804,3758.636999918963originFrequency: 799.71375783729,799.713758637pulseStrength90: 23719.165085388995experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4date: 2018-09-16T01:01:20.000ZisFt: truename: olindenone G (7)/0phc0: -24.20735,104.0072phc1: 2.858876,-180type: NMR SpectrumDECIM: 2080aqMod: 3isFid: falsetdOff: 0,0title: Parameter file, TopSpin 4.0.4DSPFVS: 21nucleus: 1H,1Hreverse: false,falsesolvent: MeODdimension: 2increment: 1.0019610684815583isComplex: falseprobeName: Z110388_0003 (CP TCI 800S4 H-C/N-D-01.7 Z)experiment: tocsygroupDelay: 76temperature: 300.0002spectrumSize: 1024,1024baseFrequency: 799.71,799.71fieldStrength: 18.78246499883878numberOfScans: 64pulseSequence: dipsi2gpphpr,dipsi2gpphprspectralWidth: 12.0235328217787,12.0235328097552numberOfPoints: 13relaxationTime: 1acquisitionTime: 0.0006239999999999985frequencyOffset: 3757.8372899815804,3758.636999918963originFrequency: 799.71375783729,799.713758637pulseStrength90: 23719.165085388995experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4

Chemical Info

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-SZHRUVDFSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p20.s97.d550
License URL
Source https://nmrxiv.org/D550
Version
Author Fernanda O. Chagas, Leandro M. Garrido, Raphael Conti, Ricardo M. Borges, Vincent A. Bielinski, Gabriel Padilla, Mônica T. Pupo
Maintainer
Language english
MetadataCreated 2024-04-22T15:38:14.105660
MetadataModified 2024-09-23T09:28:32.006915
MetadataPublished 2023-12-21 09:36:15
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 : 300.0002 K

magnetic field strength : 18.78246499883878 Tesla

number of scans : 64 scans

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

Spectral Width : [12.0235328217787, 12.0235328097552]

number of data points : 13 points

relaxation time measurement : 1 seconds

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