Boldine (C19H21NO4)

Boldine bmse001248 - Data

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BMRB entry bmse001248

Entry DOI: doi:10.13018/BMSE001248
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001248.str

NMR-STAR

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Structure file (mol/sdf):

bmse001248.mol

All files for

bmse001248

Time Domain Data:

bmse001248.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C143.77331
C255.66371
C359.25291
C428.53891
C552.80761
C633.74591
C7114.09081
C8115.22891
C9111.85181
C10125.54731
C11122.79374
C12126.23924
C1362.34821
C14145.74684
C15149.10041
C16145.99714
C17128.81054
C18129.56944
C19142.59131
H252.39451
H262.39451
H272.39451
H283.7821
H293.7821
H303.7821
H313.55831
H323.55831
H333.55831
H342.5242
H352.88872
H362.29772
H372.90772
H382.25712
H392.93632
H406.4991
H416.71891
H427.85131
H432.75861

NMR experiments

1: 1D 1H
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001248_1.zip

2: 2D 1H-1H TOCSY
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001248_2.zip

3: 1D 13C
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001248_3.zip

4: 1D DEPT90
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001248_4.zip

5: 1D DEPT135
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001248_5.zip

6: 2D 1H-13C HSQC
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001248_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001248_7.zip

8: 2D 1H-13C HMBC
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001248_8.zip

9: 2D 1H-1H COSY
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001248_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001248_10.zip