L-Gulonolactone (C6H10O6)
BMRB entry bmse000235
Entry DOI: doi:10.13018/BMSE000235
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000235.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000235.molAll files for
bmse000235Time Domain Data:
bmse000235.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | C1 | 84.063 | 6 |
| C3 | C2 | 72.280 | 6 |
| C2 | C4 | 72.797 | 6 |
| C4 | C5 | 73.523 | 6 |
| C6 | C7 | 181.543 | 6 |
| C1 | C8 | 65.222 | 6 |
| H18 | H13 | 4.523 | 6 |
| H16 | H14 | 4.558 | 6 |
| H15 | H15 | 4.076 | 6 |
| H17 | H16 | 4.750 | 6 |
| H13 | H18 | 3.755 | 6 |
| H14 | H19 | 3.668 | 6 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000235/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000235/nmr/set01/spectra/1H_13C_HSQC.png)