Norlobaric Acid, Decarboxy- (C23H26O6)

Norlobaric Acid, Decarboxy- bmse001301 - Data

View large 3D structure

BMRB entry bmse001301

Entry DOI: doi:10.13018/BMSE001301
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001301.str

NMR-STAR

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Structure file (mol/sdf):

bmse001301.mol

All files for

bmse001301

Time Domain Data:

bmse001301.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C114.28874
C214.42954
C323.18524
C423.62634
C532.8541
C631.66951
C727.22291
C830.91951
C943.00621
C10114.471
C11112.93231
C12108.58491
C13106.43871
C14137.76781
C15156.3681
C16165.0781
C17111.48421
C18206.42461
C19142.7344
C20145.94064
C21150.82884
C22164.87444
C23165.03371
H300.94251
H310.94251
H320.94251
H330.94251
H340.94251
H350.94251
H361.39871
H371.39871
H381.39871
H391.39871
H401.4031
H411.4031
H421.62251
H431.62251
H441.63981
H451.63981
H462.73291
H472.73291
H482.7761
H492.7761
H506.50521
H516.68361
H526.70421
H536.51661

NMR experiments

1: 1D 1H
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001301_1.zip

2: 2D 1H-1H TOCSY
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001301_2.zip

3: 1D 13C
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001301_3.zip

4: 1D DEPT90
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001301_4.zip

5: 1D DEPT135
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001301_5.zip

6: 2D 1H-13C HSQC
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001301_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001301_7.zip

8: 2D 1H-13C HMBC
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001301_8.zip

9: 2D 1H-1H COSY
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001301_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001301_10.zip