Diosgenin (C27H42O3)

Diosgenin bmse001247 - Data

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BMRB entry bmse001247

Entry DOI: doi:10.13018/BMSE001247
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001247.str

NMR-STAR

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Structure file (mol/sdf):

bmse001247.mol

All files for

bmse001247

Time Domain Data:

bmse001247.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C117.32181
C214.7111
C319.59761
C416.47171
C5121.6051
C632.20941
C728.94881
C831.76841
C921.031
C1037.36951
C1139.94081
C1231.53151
C1342.42221
C1432.00441
C1567.0111
C1630.46211
C1741.75431
C18140.95031
C1971.89321
C2031.5861
C2150.18461
C2256.66421
C2380.98871
C2462.21121
C2536.79941
C2640.41881
C27109.47581
H310.78651
H320.78651
H330.78651
H340.97031
H350.97031
H360.97031
H371.02461
H381.02461
H391.02461
H400.78651
H410.78651
H420.78651
H435.33611
H441.2781
H451.2781
H461.60921
H471.60921
H481.50231
H491.50231
H501.51271
H511.51271
H521.0612
H531.82272
H541.16752
H551.71962
H561.59281
H571.59281
H582.28171
H592.28171
H601.98281
H611.98281
H623.37012
H633.46122
H641.60011
H651.86261
H663.51441
H671.82781
H680.9481
H691.1011
H704.39491
H711.77621

NMR experiments

1: 1D 1H
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001247_1.zip

2: 2D 1H-1H TOCSY
Sample: 50mM 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: bmse001247_2.zip

3: 1D 13C
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001247_3.zip

4: 1D DEPT90
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001247_4.zip

5: 1D DEPT135
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001247_5.zip

6: 2D 1H-13C HSQC
Sample: 50mM 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: bmse001247_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001247_7.zip

8: 2D 1H-13C HMBC
Sample: 50mM 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: bmse001247_8.zip

9: 2D 1H-1H COSY
Sample: 50mM 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: bmse001247_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 50mM 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: bmse001247_10.zip