Dataset

olindenone E (5).1d

This dataset contains NMR spectra obtained for the sample -olindenone E (5)date: 2016-04-06T19:23:06.000ZisFt: falsename: olindenone E (5)/0phc0: 39.63327phc1: 8.147458type: NMR FIDDECIM: 16aqMod: 3isFid: truetdOff: 0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00005879999999999994isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170experiment: 1dgroupDelay: -1temperature: 570.56spectrumSize: 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: 2016-04-06T19:23:06.000ZisFt: truename: olindenone E (5)/0phc0: 39.63327phc1: 8.147458type: NMR SpectrumDECIM: 16aqMod: 3isFid: falsetdOff: 0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00025943790472114745isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170experiment: 1dgroupDelay: -1temperature: 570.56spectrumSize: 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 E (5)/0phc0: -92.60195,90phc1: -10,-180type: NMR FIDDECIM: 32,1aqMod: 3,2isFid: truetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,1Hreverse: false,falsesolvent: CDCl3dimension: 2increment: 0.00008000000000000016,0.0006421960784313739isComplex: trueprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: noesygroupDelay: -1,-1temperature: 296.9,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13digitalFilter: 72.125fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: noesyph,spectralWidth: 12.4966902195788,12.4966902195788numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.16376000000000032frequencyOffset: 2426.2809999981982,2426.2809999981982originFrequency: 500.132426281,500.132426281pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4isFt: truename: olindenone E (5)/0phc0: -92.60195,90phc1: -10,-180type: NMR SpectrumDECIM: 32,1aqMod: 3,2isFid: falsetdOff: 0,0title: Parameter file, TOPSPIN Version 1.3DSPFVS: 12,0nucleus: 1H,1Hreverse: false,falsesolvent: CDCl3dimension: 2increment: 0.006104880419921251,0.049006628312073724isComplex: falseprobeName: 5 mm BBI 1H-BB-D Z-GRD Z8107/170,experiment: noesygroupDelay: -1,-1temperature: 296.9,300spectrumSize: 1024,1024baseFrequency: 500.13,500.13fieldStrength: 11.746350827011339numberOfScans: 64,16pulseSequence: noesyph,spectralWidth: 12.4966902195788,12.4966902195788numberOfPoints: 2048,256relaxationTime: 1acquisitionTime: 0.16376000000000032frequencyOffset: 2426.2809999981982,2426.2809999981982originFrequency: 500.132426281,500.132426281pulseStrength90: 30303.030303030304experimentNumber: 0acquisitionScheme: States-TPPIlinearPredictionBin: 0,0lpNumberOfCoefficients: 0,0windowMultiplicationMode: 4,4

Chemical Info

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-ORIBYTGSSA-N

Data and Resources

olindenone E (5).1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p20.s98.d554
License URL
Source	https://nmrxiv.org/D554
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	2024-04-22T15:38:24.411968
MetadataModified	2025-02-03T15:09:36.633918
MetadataPublished	2023-12-21 09:36:15
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : 5 mm BBI 1H-BB-D Z-GRD Z8107/170 Temperature : 570.56 K magnetic field strength : 11.746350827011339 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 17.0022630859004 number of data points : 65536 points relaxation time measurement : 1 seconds

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