D-Trehalose (C12H22O11)

D-Trehalose bmse000125 - Data bmse000815 - Data bmse000876 - Data

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

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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 ID	Author Nomenclature	Value	Ambiguity Code
C11	C1	95.960	1
C11	C1	95.900	1
C9	C2	75.215	4
C9	C2	74.875	4
C9	C2	73.765	4
C9	C2	72.400	4
C7	C3	75.215	4
C7	C3	74.875	4
C7	C3	73.765	4
C7	C3	72.400	4
C5	C4	75.215	4
C5	C4	74.875	4
C5	C4	73.765	4
C5	C4	72.400	4
C3	C5	75.215	4
C3	C5	74.875	4
C3	C5	73.765	4
C3	C5	72.400	4
C1	C6	63.225	1
C12	C13	95.960	1
C12	C13	95.900	1
C10	C14	75.215	4
C10	C14	74.875	4
C10	C14	73.765	4
C10	C14	72.400	4
C8	C15	75.215	4
C8	C15	74.875	4
C8	C15	73.765	4
C8	C15	72.400	4
C6	C16	75.215	4
C6	C16	74.875	4
C6	C16	73.765	4
C6	C16	72.400	4
C4	C17	75.215	4
C4	C17	74.875	4
C4	C17	73.765	4
C4	C17	72.400	4
C2	C18	63.225	1
H36	H24	5.187	1
H34	H25	3.864	4
H34	H25	3.824	4
H34	H25	3.753	4
H34	H25	3.639	4
H34	H25	3.440	4
H32	H26	3.864	4
H32	H26	3.824	4
H32	H26	3.753	4
H32	H26	3.639	4
H32	H26	3.440	4
H30	H27	3.864	4
H30	H27	3.824	4
H30	H27	3.753	4
H30	H27	3.639	4
H30	H27	3.440	4
H28	H28	3.864	4
H28	H28	3.824	4
H28	H28	3.753	4
H28	H28	3.639	4
H28	H28	3.440	4
H24	H29	3.753	4
H25	H30	3.753	4
H37	H35	5.187	1
H35	H36	3.864	4
H35	H36	3.824	4
H35	H36	3.753	4
H35	H36	3.639	4
H35	H36	3.440	4
H33	H37	3.864	4
H33	H37	3.824	4
H33	H37	3.753	4
H33	H37	3.639	4
H33	H37	3.440	4
H31	H38	3.864	4
H31	H38	3.824	4
H31	H38	3.753	4
H31	H38	3.639	4
H31	H38	3.440	4
H29	H39	3.864	4
H29	H39	3.824	4
H29	H39	3.753	4
H29	H39	3.639	4
H29	H39	3.440	4
H26	H40	3.753	4
H27	H41	3.753	4

NMR experiments

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

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

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

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

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

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

Spectrum for experiment #5: 2D [1H,13C]-HSQC

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

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

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

Spectrum for experiment #7: 2D [1H,1H]-COSY

Download time domain data: bmse000876_7.zip