Rottlerin (C30H28O8)

Rottlerin bmse001266 - Data

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BMRB entry bmse001266

Entry DOI: doi:10.13018/BMSE001266
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001266.str

NMR-STAR

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Structure file (mol/sdf):

bmse001266.mol

All files for

bmse001266

Time Domain Data:

bmse001266.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDValueAmbiguity Code
C17.46821
C232.60231
C327.9991
C427.9991
C5130.37371
C6129.01381
C7129.01381
C8128.39961
C9128.39961
C10143.34651
C11126.73081
C12117.19991
C13125.10661
C1415.78351
C15101.83321
C16204.08761
C17135.41161
C18103.74261
C19105.26721
C20106.46031
C21192.85221
C22104.07871
C23105.96521
C24160.70891
C25156.41541
C26158.73961
C27159.57421
C28162.79311
C29155.40491
C3078.16091
H392.08821
H402.08821
H412.08821
H422.70321
H432.70321
H442.70321
H451.53751
H461.53751
H471.53751
H481.53751
H491.53751
H501.53751
H517.42081
H527.42081
H537.42081
H547.60751
H557.60751
H567.8241
H578.18981
H586.66681
H595.48721
H603.80451
H613.80451

NMR experiments

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

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001266_1.zip

2: 2D 1H-1H TOCSY
Sample: 10mg 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: bmse001266_2.zip

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

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001266_3.zip

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

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001266_4.zip

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

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001266_5.zip

6: 2D 1H-13C HSQC
Sample: 10mg 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: bmse001266_6.zip

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

Download time domain data: bmse001266_7.zip

8: 2D 1H-13C HMBC
Sample: 10mg 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: bmse001266_8.zip

9: 2D 1H-1H COSY
Sample: 10mg 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: bmse001266_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg 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: bmse001266_10.zip