Lactulose (C12H22O11)

Lactulose bmse000652 - Data

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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.str

NMR-STAR

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Structure file (mol/sdf):

bmse000652.mol

All files for

bmse000652

Time Domain Data:

bmse000652.zip

Sample 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

Download time domain data: bmse000652_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000652_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000652_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000652_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000652_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC

Download time domain data: bmse000652_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC

Download time domain data: bmse000652_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY

Download time domain data: bmse000652_8.zip