Confertifoline (C15H22O2)

Confertifoline bmse001292 - Data

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BMRB entry bmse001292

Entry DOI: doi:10.13018/BMSE001292
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001292.str

NMR-STAR

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Structure file (mol/sdf):

bmse001292.mol

All files for

bmse001292

Time Domain Data:

bmse001292.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDValueAmbiguity Code
C121.44641
C233.22831
C320.93821
C436.09081
C518.05151
C621.43151
C741.56931
C818.35061
C968.27851
C10123.44971
C11170.85851
C1251.25151
C13174.66761
C1477.21721
C1536.57631
H180.91411
H190.91411
H200.91411
H210.94941
H220.94941
H230.94941
H241.1691
H251.1691
H261.1691
H271.35572
H281.64182
H291.52222
H301.90462
H312.14132
H322.38892
H331.23342
H341.5052
H351.56232
H361.71162
H374.66332
H384.71492
H391.24681

NMR experiments

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

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001292_1.zip

2: 2D 1H-1H TOCSY
Sample: 5mg 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: bmse001292_2.zip

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

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001292_3.zip

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

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001292_4.zip

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

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001292_5.zip

6: 2D 1H-13C HSQC
Sample: 5mg 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: bmse001292_6.zip

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

Download time domain data: bmse001292_7.zip

8: 2D 1H-13C HMBC
Sample: 5mg 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: bmse001292_8.zip

9: 2D 1H-1H COSY
Sample: 5mg 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: bmse001292_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg 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: bmse001292_10.zip