Ginkgotoxin (C9H13NO3)

Ginkgotoxin bmse001224 - Data

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BMRB entry bmse001224

Entry DOI: doi:10.13018/BMSE001224
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001224.str

NMR-STAR

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Structure file (mol/sdf):

bmse001224.mol

All files for

bmse001224

Time Domain Data:

bmse001224.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
C118.61741
C258.99661
C3138.91211
C460.52141
C567.94291
C6147.72191
C7131.56441
C8135.49431
C9152.64381
H142.41871
H152.41871
H162.41871
H173.42971
H183.42971
H193.42971
H207.89341
H214.61931
H224.61931
H234.7461
H244.7461

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: bmse001224_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: bmse001224_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: bmse001224_3.zip

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

Download time domain data: bmse001224_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: bmse001224_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: bmse001224_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: bmse001224_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: bmse001224_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: bmse001224_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: bmse001224_10.zip