Dihydroisorescinnamine (C35H44N2O9)

Dihydroisorescinnamine bmse001300 - Data

View large 3D structure

BMRB entry bmse001300

Entry DOI: doi:10.13018/BMSE001300
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001300.str

NMR-STAR

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Structure file (mol/sdf):

bmse001300.mol

All files for

bmse001300

Time Domain Data:

bmse001300.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDValueAmbiguity Code
C155.10361
C255.70091
C355.70091
C459.90781
C560.08841
C651.7311
C730.72831
C8107.89681
C9118.02881
C1035.66911
C1121.63221
C1252.59221
C13105.43341
C14105.43341
C1530.30021
C1694.59661
C1727.21811
C1859.24071
C19136.20981
C2037.10651
C21155.02571
C22121.05671
C23106.20851
C2433.63261
C25136.71661
C2659.86761
C27152.68151
C28152.68151
C2976.71911
C30171.71891
C3151.07931
C32133.82291
C33135.67241
C3477.37761
C35171.86361
H473.73911
H483.73911
H493.73911
H503.70361
H513.70361
H523.70361
H533.70361
H543.70361
H553.70361
H563.57721
H573.57721
H583.57721
H593.31271
H603.31271
H613.31271
H623.76281
H633.76281
H643.76281
H652.79161
H662.79161
H676.61561
H687.22461
H692.62411
H702.62411
H712.54212
H722.69892
H732.38092
H742.84282
H756.51811
H766.51811
H771.67572
H781.95022
H796.81271
H801.41192
H811.8542
H822.51512
H832.72042
H842.20691
H852.01441
H863.04421
H874.73851
H882.75991
H893.52381
H9010.58831

NMR experiments

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

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001300_1.zip

2: 2D 1H-1H TOCSY
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001300_2.zip

3: 1D 13C
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001300_3.zip

4: 1D DEPT90
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001300_4.zip

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

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001300_5.zip

6: 2D 1H-13C HSQC
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001300_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001300_7.zip

8: 2D 1H-13C HMBC
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001300_8.zip

9: 2D 1H-1H COSY
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001300_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg 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: bmse001300_10.zip