D-(-)-Tagatose (C6H12O6)

D-(-)-Tagatose bmse000023 - Data bmse000865 - Data bmse000883 - Data

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BMRB entry bmse000865

Entry DOI: doi:10.13018/BMSE000865
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie Ulrich

NMR-STAR file:

bmse000865.str

NMR-STAR

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Structure file (mol/sdf):

bmse000865.mol

All files for

bmse000865

Time Domain Data:

bmse000865.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom ID	Author Nomenclature	Value	Ambiguity Code
C6	C1	101.03	1
C5	C2	73.646	4
C5	C2	72.261	4
C5	C2	69.1	4
C2	C4	66.411	4
C2	C4	64.983	4
C4	C6	73.646	4
C4	C6	72.261	4
C4	C6	69.1	4
C1	C8	66.411	4
C1	C8	64.983	4
C3	C10	73.646	4
C3	C10	72.261	4
C3	C10	69.1	4
H19	H13	3.915	4
H19	H13	3.849	4
H15	H14	3.738	4
H15	H14	3.623	4
H15	H14	3.495	4
H16	H15	3.738	4
H16	H15	3.623	4
H16	H15	3.495	4
H18	H17	3.915	4
H18	H17	3.849	4
H13	H19	3.738	4
H13	H19	3.623	4
H13	H19	3.495	4
H14	H20	3.738	4
H14	H20	3.623	4
H14	H20	3.495	4
H17	H22	3.915	4
H17	H22	3.849	4

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000865_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000865_2.zip

3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000865_3.zip

4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000865_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #5: 2D [1H,13C]-HSQC

Download time domain data: bmse000865_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #6: 2D [1H,13C]-HMBC

Download time domain data: bmse000865_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #7: 2D [1H,1H]-COSY

Download time domain data: bmse000865_7.zip