L-(-) Arabitol (C5H12O5)
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.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000869.molAll files for
bmse000869Time Domain Data:
bmse000869.zipSample 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
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](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000869/nmr/set01/spectra/HH_TOCSY/00.png)
3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
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](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000869/nmr/set01/spectra/1H_13C_HSQC/00.png)
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](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000869/nmr/set01/spectra/1H_13C_HMBC/00.png)
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](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000869/nmr/set01/spectra/HH_COSY/00.png)