Sucrose (C12H22O11)

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BMRB entry bmse000119

Entry DOI: doi:10.13018/BMSE000119
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000119.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000119.mol

All files for

bmse000119

Time Domain Data:

bmse000119.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: temperature: 298K, pH: 7.4
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C11C194.9061
C9C279.0444
C9C276.6714
C9C275.2584
C9C275.1184
C9C273.7834
C9C271.9044
C8C379.0444
C8C376.6714
C8C375.2584
C8C375.1184
C8C373.7834
C8C371.9044
C6C479.0444
C6C476.6714
C6C475.2584
C6C475.1184
C6C473.7834
C6C471.9044
C4C579.0444
C4C576.6714
C4C575.2584
C4C575.1184
C4C573.7834
C4C571.9044
C1C665.0984
C1C663.9914
C1C662.7864
C12C13106.4071
C10C1479.0444
C10C1476.6714
C10C1475.2584
C10C1475.1184
C10C1473.7834
C10C1471.9044
C7C1579.0444
C7C1576.6714
C7C1575.2584
C7C1575.1184
C7C1573.7834
C7C1571.9044
C5C1684.0881
C2C1765.098
C2C1763.991
C2C1762.786
C3C2265.0984
C3C2263.9914
C3C2262.7864
H37H245.4031
H35H254.2094
H35H254.0424
H35H253.8174
H35H253.7524
H35H253.5474
H35H253.4614
H34H264.2094
H34H264.0424
H34H263.8174
H34H263.7524
H34H263.5474
H34H263.4614
H32H274.2094
H32H274.0424
H32H273.8174
H32H273.7524
H32H273.5474
H32H273.4614
H30H284.2094
H30H284.0424
H30H283.8174
H30H283.7524
H30H283.5474
H30H283.4614
H24H293.6654
H25H303.6654
H36H354.2094
H36H354.0424
H36H353.8174
H36H353.7524
H36H353.5474
H36H353.4614
H33H364.2094
H33H364.0424
H33H363.8174
H33H363.7524
H33H363.5474
H33H363.4614
H31H373.8861
H26H383.6654
H27H393.6654
H28H433.6654
H29H443.6654

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000119_1.zip

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

Array spectrum for 2
Download time domain data: bmse000119_2.zip

3: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000119_3.zip

4: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000119_4.zip

5: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000119_5.zip

6: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000119_6.zip

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

Array spectrum for 7
Download time domain data: bmse000119_7.zip

8: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000119_8.zip

9: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000119_9.zip

10: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000119_10.zip