Beta-gentiobiose (C12H22O11)
BMRB entry bmse000313
Entry DOI: doi:10.13018/BMSE000313
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Maud Ceulhe, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000313.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000313.molAll files for
bmse000313Time Domain Data:
bmse000313.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 - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | C12 | 77.589 | 1 |
| C6 | C13 | 72.1797 | 1 |
| C10 | C14 | 75.7944 | 1 |
| C8 | C15 | 78.3387 | 1 |
| C12 | C16 | 105.3979 | 1 |
| C5 | C17 | 72.3108 | 1 |
| C7 | C18 | 78.3387 | 1 |
| C3 | C19 | 78.6321 | 1 |
| C9 | C20 | 76.7283 | 1 |
| C2 | C21 | 71.5182 | 1 |
| C11 | C22 | 98.6873 | 1 |
| C1 | C23 | 63.42 | 1 |
| H29 | H24 | 3.619 | 1 |
| H31 | H25 | 3.4724 | 1 |
| H35 | H26 | 3.5022 | 1 |
| H33 | H27 | 3.3083 | 1 |
| H37 | H28 | 4.4948 | 1 |
| H30 | H29 | 3.3768 | 1 |
| H32 | H30 | 3.2465 | 1 |
| H28 | H31 | 3.4724 | 1 |
| H34 | H32 | 3.4842 | 1 |
| H26 | H33 | 4.19365 | 2 |
| H27 | H34 | 3.8357 | 2 |
| H36 | H35 | 4.645 | 1 |
| H24 | H36 | 3.9083 | 2 |
| H25 | H37 | 3.73 | 2 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
