BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one (C21H28O2)

View large 3D structure

BMRB entry bmse001135

Entry DOI: doi:10.13018/BMSE001135
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse001135.str
NMR-STAR interactive viewer
Mol file: bmse001135.mol
All files for bmse001135
Time Domain Data: bmse001135.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C1633.59741
C1953.96641
C1855.42581
C2146.02411
C2038.69771
C920.58081
C1134.21591
C531.7641
C731.98491
C14171.01681
C432.58131
C17155.05751
C1033.84041
C315.62111
C217.18321
C6144.05451
C835.4751
C12123.98091
C13196.76731
C15199.60121
C127.16951
H491.76391
H511.00191
H501.42281
H421.5222
H431.60012
H461.33312
H472.42332
H351.12492
H361.87092
H382.07341
H392.07341
H332.30762
H342.41752
H442.35391
H452.35391
H300.93751
H320.93751
H310.93751
H271.20631
H291.20631
H281.20631
H376.7091
H401.69452
H412.02422
H485.73491
H262.26711
H252.26711
H242.26711

NMR experiments

1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 1
Download time domain data: bmse001135_1.zip

2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 2
Download time domain data: bmse001135_2.zip

3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 3
Download time domain data: bmse001135_3.zip

4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 4
Download time domain data: bmse001135_4.zip

5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 5
Download time domain data: bmse001135_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 6
Download time domain data: bmse001135_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001135_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 8
Download time domain data: bmse001135_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 9
Download time domain data: bmse001135_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

 spectrum for 10
Download time domain data: bmse001135_10.zip