D-Cellobiose (C12H22O11)

D-Cellobiose bmse000138 - Data bmse000889 - Data bmse000939 - Data bmst000174 - Theory

View large 3D structure

BMRB entry bmse000939

Entry DOI: doi:10.13018/BMSE000939
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000939.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000939.mol

All files for

bmse000939

Time Domain Data:

bmse000939.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
C10	C1	81.4087	4
C10	C1	81.2689	4
C10	C1	78.7048	4
C10	C1	78.1909	4
C10	C1	77.5183	4
C10	C1	76.9937	4
C10	C1	76.6011	4
C10	C1	75.8799	4
C10	C1	74.0442	4
C10	C1	73.9341	4
C10	C1	72.8293	4
C10	C1	72.1706	4
C10	C1	72.1539	4
C4	C2	81.4087	4
C4	C2	81.2689	4
C4	C2	78.7048	4
C4	C2	78.1909	4
C4	C2	77.5183	4
C4	C2	76.9937	4
C4	C2	76.6011	4
C4	C2	75.8799	4
C4	C2	74.0442	4
C4	C2	73.9341	4
C4	C2	72.8293	4
C4	C2	72.1706	4
C4	C2	72.1539	4
C7	C4	81.4087	4
C7	C4	81.2689	4
C7	C4	78.7048	4
C7	C4	78.1909	4
C7	C4	77.5183	4
C7	C4	76.9937	4
C7	C4	76.6011	4
C7	C4	75.8799	4
C7	C4	74.0442	4
C7	C4	73.9341	4
C7	C4	72.8293	4
C7	C4	72.1706	4
C7	C4	72.1539	4
C2	C6	63.287	4
C2	C6	63.270	4
C2	C6	62.736	4
C2	C6	62.603	4
C12	C7	105.282	1
C12	C7	105.255	1
C8	C8	81.4087	4
C8	C8	81.2689	4
C8	C8	78.7048	4
C8	C8	78.1909	4
C8	C8	77.5183	4
C8	C8	76.9937	4
C8	C8	76.6011	4
C8	C8	75.8799	4
C8	C8	74.0442	4
C8	C8	73.9341	4
C8	C8	72.8293	4
C8	C8	72.1706	4
C8	C8	72.1539	4
C11	C10	98.466	1
C11	C10	94.534	1
C9	C13	81.4087	4
C9	C13	81.2689	4
C9	C13	78.7048	4
C9	C13	78.1909	4
C9	C13	77.5183	4
C9	C13	76.9937	4
C9	C13	76.6011	4
C9	C13	75.8799	4
C9	C13	74.0442	4
C9	C13	73.9341	4
C9	C13	72.8293	4
C9	C13	72.1706	4
C9	C13	72.1539	4
C3	C16	81.4087	4
C3	C16	81.2689	4
C3	C16	78.7048	4
C3	C16	78.1909	4
C3	C16	77.5183	4
C3	C16	76.9937	4
C3	C16	76.6011	4
C3	C16	75.8799	4
C3	C16	74.0442	4
C3	C16	73.9341	4
C3	C16	72.8293	4
C3	C16	72.1706	4
C3	C16	72.1539	4
C6	C17	81.4087	4
C6	C17	81.2689	4
C6	C17	78.7048	4
C6	C17	78.1909	4
C6	C17	77.5183	4
C6	C17	76.9937	4
C6	C17	76.6011	4
C6	C17	75.8799	4
C6	C17	74.0442	4
C6	C17	73.9341	4
C6	C17	72.8293	4
C6	C17	72.1706	4
C6	C17	72.1539	4
C5	C19	81.4087	4
C5	C19	81.2689	4
C5	C19	78.7048	4
C5	C19	78.1909	4
C5	C19	77.5183	4
C5	C19	76.9937	4
C5	C19	76.6011	4
C5	C19	75.8799	4
C5	C19	74.0442	4
C5	C19	73.9341	4
C5	C19	72.8293	4
C5	C19	72.1706	4
C5	C19	72.1539	4
C1	C20	63.287	4
C1	C20	63.270	4
C1	C20	62.736	4
C1	C20	62.603	4
H35	H24	3.867	4
H35	H24	3.733	4
H35	H24	3.611	4
H35	H24	3.487	4
H35	H24	3.412	4
H35	H24	3.294	4
H29	H25	3.867	4
H29	H25	3.733	4
H29	H25	3.611	4
H29	H25	3.487	4
H29	H25	3.412	4
H29	H25	3.294	4
H32	H26	3.867	4
H32	H26	3.733	4
H32	H26	3.611	4
H32	H26	3.487	4
H32	H26	3.412	4
H32	H26	3.294	4
H26	H27	3.867	4
H26	H27	3.733	4
H26	H27	3.611	4
H26	H27	3.487	4
H26	H27	3.412	4
H26	H27	3.294	4
H27	H28	3.867	4
H27	H28	3.733	4
H27	H28	3.611	4
H27	H28	3.487	4
H27	H28	3.412	4
H27	H28	3.294	4
H37	H29	4.505	1
H33	H30	3.867	4
H33	H30	3.733	4
H33	H30	3.611	4
H33	H30	3.487	4
H33	H30	3.412	4
H33	H30	3.294	4
H36	H32	5.220	1
H36	H32	4.657	1
H34	H34	3.867	4
H34	H34	3.733	4
H34	H34	3.611	4
H34	H34	3.487	4
H34	H34	3.412	4
H34	H34	3.294	4
H28	H37	3.867	4
H28	H37	3.733	4
H28	H37	3.611	4
H28	H37	3.487	4
H28	H37	3.412	4
H28	H37	3.294	4
H31	H38	3.867	4
H31	H38	3.733	4
H31	H38	3.611	4
H31	H38	3.487	4
H31	H38	3.412	4
H31	H38	3.294	4
H30	H40	3.867	4
H30	H40	3.733	4
H30	H40	3.611	4
H30	H40	3.487	4
H30	H40	3.412	4
H30	H40	3.294	4
H24	H41	3.867	4
H24	H41	3.733	4
H24	H41	3.611	4
H24	H41	3.487	4
H24	H41	3.412	4
H24	H41	3.294	4
H25	H42	3.867	4
H25	H42	3.733	4
H25	H42	3.611	4
H25	H42	3.487	4
H25	H42	3.412	4
H25	H42	3.294	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: bmse000939_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: bmse000939_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: bmse000939_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: bmse000939_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: bmse000939_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: bmse000939_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: bmse000939_7.zip

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

Spectrum for experiment #8: 2D [1H,13C]-HMQC

Download time domain data: bmse000939_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

Spectrum for experiment #9: 2D [1H,13C]-HSQC SW small

Download time domain data: bmse000939_9.zip