Lactulose (C12H22O11)
BMRB entry bmse000652
Entry DOI: doi:10.13018/BMSE000652
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000652.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000652.molAll files for
bmse000652Time Domain Data:
bmse000652.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 |
|---|---|---|---|
| C9 | C12 | 86.868 | 1 |
| C10 | C13 | 69.504 | |
| C5 | C14 | 82.7636 | |
| C12 | C15 | 100.83 | 1 |
| C11 | C16 | 105.579 | 1 |
| C8 | C17 | 73.493 | 1 |
| C7 | C18 | 75.331 | 1 |
| C6 | C19 | 71.420 | 1 |
| C4 | C20 | 77.9993 | 1 |
| C2 | C21 | 66.599 | 4 |
| C3 | C22 | 65.713 | 4 |
| C1 | C23 | 65.385 | 4 |
| H35 | H24 | 4.132 | 4 |
| H36 | H25 | 4.274 | 4 |
| H31 | H26 | 3.919 | 4 |
| H37 | H27 | 4.559 | 1 |
| H34 | H28 | 3.919 | 4 |
| H33 | H29 | 3.732 | 4 |
| H32 | H30 | 3.575 | 4 |
| H30 | H31 | 3.919 | 4 |
| H26 | H32 | 4.012 | 4 |
| H27 | H33 | 3.919 | 4 |
| H28 | H34 | 3.732 | 4 |
| H29 | H35 | 3.575 | 4 |
| H24 | H36 | 4.012 | 4 |
| H25 | H37 | 3.919 | 4 |
| H44 | H38 | 4.012 | 4 |
| H45 | H39 | 4.012 | 4 |
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
8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
