Artemisinin (C15H22O5)

Artemisinin bmse001249 - Data

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BMRB entry bmse001249

Entry DOI: doi:10.13018/BMSE001249
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001249.str

NMR-STAR

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Structure file (mol/sdf):

bmse001249.mol

All files for

bmse001249

Time Domain Data:

bmse001249.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDValueAmbiguity Code
C119.83941
C212.56821
C325.19941
C433.57321
C523.391
C624.83291
C735.87171
C850.01751
C932.87791
C1037.51031
C1144.92851
C12172.10171
C1393.69961
C14105.37691
C1579.49351
H211.01041
H221.01041
H231.01041
H241.22431
H251.22431
H261.22431
H271.45191
H281.45191
H291.45191
H301.06962
H311.80232
H321.07872
H331.88432
H342.00261
H352.00261
H362.05722
H372.43952
H381.40731
H393.39991
H401.41551
H411.77231
H425.86761

NMR experiments

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

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001249_1.zip

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

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001249_2.zip

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

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001249_3.zip

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

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001249_4.zip

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

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001249_5.zip

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

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001249_6.zip

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

Download time domain data: bmse001249_7.zip

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

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001249_8.zip

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

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001249_9.zip

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

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001249_10.zip