L-(-) Arabitol (C5H12O5)

L-(-) Arabitol bmse000068 - Data bmse000802 - Data bmse000869 - Data bmst000271 - Theory

View large 3D structure

BMRB entry bmse000869

Entry DOI: doi:10.13018/BMSE000869
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000869.str

NMR-STAR

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Structure file (mol/sdf):

bmse000869.mol

All files for

bmse000869

Time Domain Data:

bmse000869.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
C5	C1	73.154	1
C3	C2	73.620	4
C4	C3	72.973	4
C1	C5	65.763	4
C2	C7	65.682	4
H17	H11	3.561	1
H15	H12	3.926	4
H16	H13	3.743	4
H11	H15	3.831	4
H12	H16	3.655	4
H13	H18	3.831	4
H14	H19	3.655	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: bmse000869_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: bmse000869_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: bmse000869_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: bmse000869_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: bmse000869_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: bmse000869_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: bmse000869_7.zip