D-(-)-Fructose (C6H12O6)

View large 3D structure

BMRB entry bmse001005

Entry DOI: doi:10.13018/BMSE001005
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001005.str

NMR-STAR

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Structure file (mol/sdf):

bmse001005.mol

All files for

bmse001005

Time Domain Data:

bmse001005.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C6C1104.2341
C6C1100.8241
C5C283.4004
C5C278.0324
C5C277.1224
C5C272.3934
C5C271.9264
C5C270.2324
C2C466.5724
C2C466.0934
C2C465.3224
C2C465.1054
C4C683.4004
C4C678.0324
C4C677.1224
C4C672.3934
C4C671.9264
C4C670.2324
C3C883.4004
C3C878.0324
C3C877.1224
C3C872.3934
C3C871.9264
C3C870.2324
C1C1166.5724
C1C1166.0934
C1C1165.3224
C1C1165.1054
H19H134.1064
H19H133.9864
H19H133.8864
H19H133.8064
H15H144.0304
H15H144.0054
H15H143.8064
H15H143.6834
H15H143.5504
H16H154.0304
H16H154.0054
H16H153.8064
H16H153.6834
H16H153.5504
H18H174.1064
H18H173.9864
H18H173.8864
H18H173.8064
H17H194.1064
H17H193.9864
H17H193.8864
H17H193.8064
H13H224.0304
H13H224.0054
H13H223.8064
H13H223.6834
H13H223.5504
H14H234.0304
H14H234.0054
H14H233.8064
H14H233.6834
H14H233.5504

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: bmse001005_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: bmse001005_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: bmse001005_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: bmse001005_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: bmse001005_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: bmse001005_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: bmse001005_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: bmse001005_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: bmse001005_9.zip