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Details

This molecule with other stereoconfigurations:

chemie koeln/Cyclohexane

chemie koeln/Deuteriumoxide (D2O)

chemie koeln/Chloroform-D1 (CDCl3)

Spectral Data

Additional Data

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Molecule	60004073
Chemical name(s)	methyl 2,3,4,6-tetra-O-methyl-; α-D-Glucopyranoside
Chemical formula	C₁₁H₂₂O₆
Molecular weight	250.289
Number of double bond equivalents (DBEs)	1.0
Number of all rings, size of smallest set of smallest rings	1, 1
Canonical name(s)	O(C)CC1OC(OC)C(OC)C(OC)C1OC (SMILES) C([H])([H])([H])OC([H])([H])C1... (truncated) (chiral SMILES) InChI=1S/C11H22O6/c1-12-6-7-8(... (truncated) (INChI) ZYGZAHUNAGVTEC-UIVJTFTRSA-N (InChI Key) InChI=1/C11O6/c1-12-6-7-8(13-2... (truncated) (InChI with fixed H layer)
CAS-Number	605-81-2
Additional information	Links from Unichem:
Molecule keywords
DOI
1H Spectrum	60003381 Rating: 10 (10: 10: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type	1H
Measurement conditions
Temperature [K]	298
Solvent	Cyclohexane
Field Strength [MHz]	500.13
Assignment Method	1H
Literature
Additional comments
nmrshiftdb2 quality report	Download
Additional information
Spectrum categories	chemie koeln

Spectral Data

Additional Data

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Type: H,H-COSY 500.1300048828125

Axis: 1 (H)		Axis: 2 (H)
Atom	Shift	Atom	Shift
3	3.44	2	3.05
3	3.44	4	3.08
5	3.51	4	3.08
6	3.57	6	3.44
1	4.64	2	3.05

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Spectral Data

Additional Data

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Type: H,C-HSQC 500.1300048828125

Axis: 1 (H)		Axis: 2 (C)
Atom	Shift	Shift
2	3.05	83.48
4	3.08	80.49
8	3.32	55.09
7	3.34	59.54
9	3.4	58.44
6	3.44	72.43
3	3.44	84.7
11	3.49	60.43
5	3.51	71.73
10	3.55	60.78
6	3.57	72.43
1	4.64	98.68

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Spectral Data

Additional Data

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Type: H,C-HMBC 500.1300048828125

Axis: 1 (H)		Axis: 2 (C)
Atom	Shift	Atom	Shift
2	3.05	3	84.7
2	3.05	9	58.44
4	3.08	11	60.43
4	3.08	5	71.73
4	3.08	6	72.43
4	3.08	3	84.7
8	3.32	1	98.68
7	3.34	6	72.43
9	3.4	2	83.48
3	3.44	4	80.49
6	3.44	5	71.73
6	3.44	7	59.54
11	3.49	4	80.49
10	3.55	3	84.7
1	4.64	3	84.7
1	4.64	5	71.73

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