2-alpha-Mannobiose (C12H22O11)

View large 3D structure

BMRB entry bmse000910

Entry DOI: doi:10.13018/BMSE000910
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich

NMR-STAR file:

bmse000910.str

NMR-STAR

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Structure file (mol/sdf):

bmse000910.mol

All files for

bmse000910

Time Domain Data:

bmse000910.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C10	C12	96.559	4
C10	C12	96.422	4
C10	C12	79.570	4
C10	C12	79.257	4
C10	C12	79.158	4
C10	C12	77.520	4
C10	C12	75.508	4
C10	C12	74.434	4
C10	C12	73.600	4
C10	C12	73.347	4
C10	C12	73.258	4
C10	C12	72.911	4
C10	C12	71.684	4
C10	C12	69.428	4
C8	C13	96.559	4
C8	C13	96.422	4
C8	C13	79.570	4
C8	C13	79.257	4
C8	C13	79.158	4
C8	C13	77.520	4
C8	C13	75.508	4
C8	C13	74.434	4
C8	C13	73.600	4
C8	C13	73.347	4
C8	C13	73.258	4
C8	C13	72.911	4
C8	C13	71.684	4
C8	C13	69.428	4
C12	C14	102.941	1
C12	C14	102.899	1
C9	C15	96.559	4
C9	C15	96.422	4
C9	C15	79.570	4
C9	C15	79.257	4
C9	C15	79.158	4
C9	C15	77.520	4
C9	C15	75.508	4
C9	C15	74.434	4
C9	C15	73.600	4
C9	C15	73.347	4
C9	C15	73.258	4
C9	C15	72.911	4
C9	C15	71.684	4
C9	C15	69.428	4
C7	C16	96.559	4
C7	C16	96.422	4
C7	C16	79.570	4
C7	C16	79.257	4
C7	C16	79.158	4
C7	C16	77.520	4
C7	C16	75.508	4
C7	C16	74.434	4
C7	C16	73.600	4
C7	C16	73.347	4
C7	C16	73.258	4
C7	C16	72.911	4
C7	C16	71.684	4
C7	C16	69.428	4
C6	C17	96.559	4
C6	C17	96.422	4
C6	C17	79.570	4
C6	C17	79.257	4
C6	C17	79.158	4
C6	C17	77.520	4
C6	C17	75.508	4
C6	C17	74.434	4
C6	C17	73.600	4
C6	C17	73.347	4
C6	C17	73.258	4
C6	C17	72.911	4
C6	C17	71.684	4
C6	C17	69.428	4
C5	C18	96.559	4
C5	C18	96.422	4
C5	C18	79.570	4
C5	C18	79.257	4
C5	C18	79.158	4
C5	C18	77.520	4
C5	C18	75.508	4
C5	C18	74.434	4
C5	C18	73.600	4
C5	C18	73.347	4
C5	C18	73.258	4
C5	C18	72.911	4
C5	C18	71.684	4
C5	C18	69.428	4
C4	C19	96.559	4
C4	C19	96.422	4
C4	C19	79.570	4
C4	C19	79.257	4
C4	C19	79.158	4
C4	C19	77.520	4
C4	C19	75.508	4
C4	C19	74.434	4
C4	C19	73.600	4
C4	C19	73.347	4
C4	C19	73.258	4
C4	C19	72.911	4
C4	C19	71.684	4
C4	C19	69.428	4
C3	C20	96.559	4
C3	C20	96.422	4
C3	C20	79.570	4
C3	C20	79.257	4
C3	C20	79.158	4
C3	C20	77.520	4
C3	C20	75.508	4
C3	C20	74.434	4
C3	C20	73.600	4
C3	C20	73.347	4
C3	C20	73.258	4
C3	C20	72.911	4
C3	C20	71.684	4
C3	C20	69.428	4
C11	C21	96.559	4
C11	C21	96.422	4
C11	C21	79.570	4
C11	C21	79.257	4
C11	C21	79.158	4
C11	C21	77.520	4
C11	C21	75.508	4
C11	C21	74.434	4
C11	C21	73.600	4
C11	C21	73.347	4
C11	C21	73.258	4
C11	C21	72.911	4
C11	C21	71.684	4
C11	C21	69.428	4
C2	C22	63.749	4
C2	C22	63.218	4
C2	C22	57.094	4
C1	C23	63.749	4
C1	C23	63.218	4
C1	C23	57.094	4
H35	H24	5.174	4
H35	H24	4.907	4
H35	H24	4.062	4
H35	H24	3.850	4
H35	H24	3.654	4
H35	H24	3.559	4
H35	H24	3.496	4
H35	H24	3.434	4
H33	H25	5.174	4
H33	H25	4.907	4
H33	H25	4.062	4
H33	H25	3.850	4
H33	H25	3.654	4
H33	H25	3.559	4
H33	H25	3.496	4
H33	H25	3.434	4
H37	H26	4.734	1
H34	H27	5.174	4
H34	H27	4.907	4
H34	H27	4.062	4
H34	H27	3.850	4
H34	H27	3.654	4
H34	H27	3.559	4
H34	H27	3.496	4
H34	H27	3.434	4
H32	H28	5.174	4
H32	H28	4.907	4
H32	H28	4.062	4
H32	H28	3.850	4
H32	H28	3.654	4
H32	H28	3.559	4
H32	H28	3.496	4
H32	H28	3.434	4
H31	H29	5.174	4
H31	H29	4.907	4
H31	H29	4.062	4
H31	H29	3.850	4
H31	H29	3.654	4
H31	H29	3.559	4
H31	H29	3.496	4
H31	H29	3.434	4
H30	H30	5.174	4
H30	H30	4.907	4
H30	H30	4.062	4
H30	H30	3.850	4
H30	H30	3.654	4
H30	H30	3.559	4
H30	H30	3.496	4
H30	H30	3.434	4
H29	H31	5.174	4
H29	H31	4.907	4
H29	H31	4.062	4
H29	H31	3.850	4
H29	H31	3.654	4
H29	H31	3.559	4
H29	H31	3.496	4
H29	H31	3.434	4
H28	H32	5.174	4
H28	H32	4.907	4
H28	H32	4.062	4
H28	H32	3.850	4
H28	H32	3.654	4
H28	H32	3.559	4
H28	H32	3.496	4
H28	H32	3.434	4

NMR experiments

1: 1D 1H
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000910_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000910_2.zip

3: 1D 13C
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000910_3.zip

4: 1D DEPT90
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000910_4.zip

5: 1D DEPT135
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000910_5.zip

6: 2D [1H,13C]-HSQC
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000910_6.zip

7: 2D [1H,13C]-HMBC
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC

Download time domain data: bmse000910_7.zip

8: 2D [1H,1H]-COSY
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY

Download time domain data: bmse000910_8.zip

9: 2D [1H,13C]-HMQC
Sample: 10mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000910_9.zip