Myricetin (C15H10O8)

Myricetin bmse001272 - Data

View large 3D structure

BMRB entry bmse001272

Entry DOI: doi:10.13018/BMSE001272
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001272.str

NMR-STAR

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Structure file (mol/sdf):

bmse001272.mol

All files for

bmse001272

Time Domain Data:

bmse001272.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C1108.51661
C2108.51661
C399.23081
C494.40911
C5123.04811
C6165.53611
C7162.40971
C8146.69731
C9146.69731
C10158.14671
C11104.47831
C12137.36031
C13177.28511
C14136.94691
C15148.02661
H247.35191
H257.35191
H266.1971
H276.39591

NMR experiments

1: 1D 1H
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001272_1.zip

2: 2D 1H-1H TOCSY
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001272_2.zip

3: 1D 13C
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001272_3.zip

4: 1D DEPT90
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001272_4.zip

5: 1D DEPT135
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001272_5.zip

6: 2D 1H-13C HSQC
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001272_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001272_7.zip

8: 2D 1H-13C HMBC
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001272_8.zip

9: 2D 1H-1H COSY
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001272_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001272_10.zip