Panaxatriol (C30H52O4)

Panaxatriol bmse001317 - Data

View large 3D structure

BMRB entry bmse001317

Entry DOI: doi:10.13018/BMSE001317
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001317.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse001317.mol

All files for

bmse001317

Time Domain Data:

bmse001317.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDValueAmbiguity Code
C119.1894
C227.04264
C315.78124
C431.07054
C516.81324
C616.94514
C716.99574
C832.7751
C935.88694
C1024.57414
C1138.38081
C1215.75054
C1335.11984
C1427.03011
C1530.15924
C1630.60794
C1746.37351
C1854.07921
C1969.16781
C2066.37671
C2148.67821
C2277.02161
C2348.44691
C2460.38541
C2572.48181
C2638.41341
C2740.08874
C2840.22944
C2950.58864
C3076.18851
H351.11584
H361.11584
H371.11584
H381.19234
H391.19234
H401.19234
H410.83884
H420.83884
H430.83884
H441.21874
H451.21874
H461.21874
H470.84154
H480.96554
H490.84154
H500.84154
H510.84154
H520.84154
H530.84154
H540.84154
H550.84154
H561.11321
H571.11321
H581.11321
H591.18444
H601.29784
H610.93644
H621.02084
H630.92852
H641.55112
H651.51684
H661.51944
H671.53794
H681.74634
H691.45611
H701.45611
H711.18444
H721.45084
H731.6754
H741.73314
H751.39582
H761.49132
H771.82451
H783.36761
H793.86241
H801.32271
H812.92861
H821.48321
H830.7641

NMR experiments

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

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001317_1.zip

2: 2D 1H-1H TOCSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001317_2.zip

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

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001317_3.zip

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

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001317_4.zip

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

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001317_5.zip

6: 2D 1H-13C HSQC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001317_6.zip

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

Download time domain data: bmse001317_7.zip

8: 2D 1H-13C HMBC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001317_8.zip

9: 2D 1H-1H COSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001317_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg 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: bmse001317_10.zip