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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L-Thyroxine (C15H11NO4I4)

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BMRB entry bmse000923

Entry DOI: doi:10.13018/BMSE000923
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000923.str
NMR-STAR interactive viewer
Mol file: bmse000923.mol
All files for bmse000923
Time Domain Data: bmse000923.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C3C1035.5241
C12C1155.4461
C6C12139.7751
C1C13141.3831
C2C14141.3831
C14C15151.8484
C14C15151.5844
C11C1692.3801
C10C1792.3801
C15C18169.2991
C7C19150.5461
C4C20125.4581
C5C21125.4581
C9C2288.4501
C8C2388.4501
C13C24151.8484
C13C24151.5844
H27H252.8341
H27H253.1441
H28H262.8341
H28H263.1441
H31H273.5091
H25H287.8351
H26H297.8351
H29H327.1311
H30H337.1311

NMR experiments

1: 1D 1H
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000923_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000923_2.zip

3: 1D 13C
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000923_3.zip

4: 1D DEPT90
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000923_4.zip

5: 1D DEPT135
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000923_5.zip

6: 2D [1H,13C]-HSQC
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000923_6.zip

7: 2D [1H,13C]-HMBC
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000923_7.zip

8: 2D [1H,1H]-COSY
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000923_8.zip

9: 2D [1H,13C]-HMQC
Sample: 40mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 9
Download time domain data: bmse000923_9.zip