D-(+)-Sorbose (C6H12O6)

View large 3D structure

BMRB entry bmse000903

Entry DOI: doi:10.13018/BMSE000903
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000903.str

NMR-STAR

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Structure file (mol/sdf):

bmse000903.mol

All files for

bmse000903

Time Domain Data:

bmse000903.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C6C1100.48941
C5C276.5494
C5C273.0544
C5C272.1474
C2C466.15721
C4C676.5494
C4C673.0544
C4C672.1474
C1C864.49871
C3C1076.5494
C3C1073.0544
C3C1072.1474
H19H133.6664
H19H133.4924
H15H143.6664
H15H143.4924
H16H153.6664
H16H153.4924
H18H173.6664
H18H173.4924
H13H193.6664
H13H193.4924
H14H203.6664
H14H203.4924
H17H223.6664
H17H223.4924

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 1
Download time domain data: bmse000903_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 2
Download time domain data: bmse000903_2.zip

3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 3
Download time domain data: bmse000903_3.zip

4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 4
Download time domain data: bmse000903_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 5
Download time domain data: bmse000903_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 6
Download time domain data: bmse000903_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 7
Download time domain data: bmse000903_7.zip

8: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 8
Download time domain data: bmse000903_8.zip

9: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 9
Download time domain data: bmse000903_9.zip