Taxifolin (C15H12O7)

Taxifolin bmse001302 - Data

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BMRB entry bmse001302

Entry DOI: doi:10.13018/BMSE001302
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001302.str

NMR-STAR

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Structure file (mol/sdf):

bmse001302.mol

All files for

bmse001302

Time Domain Data:

bmse001302.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDValueAmbiguity Code
C1120.92411
C2115.87251
C3116.0721
C497.37361
C596.35341
C6129.88611
C7101.79121
C8147.17461
C9146.35281
C10165.36371
C11169.00781
C12164.54241
C13198.4081
C1473.69371
C1585.15281
H236.82751
H246.94961
H256.78951
H265.90161
H275.86381
H284.49441
H294.89791

NMR experiments

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

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001302_1.zip

2: 2D 1H-1H TOCSY
Sample: 5mg 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: bmse001302_2.zip

3: 1D 13C
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001302_3.zip

4: 1D DEPT90
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001302_4.zip

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

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001302_5.zip

6: 2D 1H-13C HSQC
Sample: 5mg 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: bmse001302_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001302_7.zip

8: 2D 1H-13C HMBC
Sample: 5mg 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: bmse001302_8.zip

9: 2D 1H-1H COSY
Sample: 5mg 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: bmse001302_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg 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: bmse001302_10.zip