D-Trehalose (C12H22O11)

View large 3D structure

BMRB entry bmse000876

Entry DOI: doi:10.13018/BMSE000876
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000876.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000876.mol

All files for

bmse000876

Time Domain Data:

bmse000876.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C11C195.9601
C11C195.9001
C9C275.2154
C9C274.8754
C9C273.7654
C9C272.4004
C7C375.2154
C7C374.8754
C7C373.7654
C7C372.4004
C5C475.2154
C5C474.8754
C5C473.7654
C5C472.4004
C3C575.2154
C3C574.8754
C3C573.7654
C3C572.4004
C1C663.2251
C12C1395.9601
C12C1395.9001
C10C1475.2154
C10C1474.8754
C10C1473.7654
C10C1472.4004
C8C1575.2154
C8C1574.8754
C8C1573.7654
C8C1572.4004
C6C1675.2154
C6C1674.8754
C6C1673.7654
C6C1672.4004
C4C1775.2154
C4C1774.8754
C4C1773.7654
C4C1772.4004
C2C1863.2251
H36H245.1871
H34H253.8644
H34H253.8244
H34H253.7534
H34H253.6394
H34H253.4404
H32H263.8644
H32H263.8244
H32H263.7534
H32H263.6394
H32H263.4404
H30H273.8644
H30H273.8244
H30H273.7534
H30H273.6394
H30H273.4404
H28H283.8644
H28H283.8244
H28H283.7534
H28H283.6394
H28H283.4404
H24H293.7534
H25H303.7534
H37H355.1871
H35H363.8644
H35H363.8244
H35H363.7534
H35H363.6394
H35H363.4404
H33H373.8644
H33H373.8244
H33H373.7534
H33H373.6394
H33H373.4404
H31H383.8644
H31H383.8244
H31H383.7534
H31H383.6394
H31H383.4404
H29H393.8644
H29H393.8244
H29H393.7534
H29H393.6394
H29H393.4404
H26H403.7534
H27H413.7534

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: bmse000876_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: bmse000876_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: bmse000876_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: bmse000876_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: bmse000876_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: bmse000876_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: bmse000876_7.zip