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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	60003377 Rating: 10 (10: 10: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type	1H
Measurement conditions
Temperature [K]	298
Solvent	Deuteriumoxide (D2O)
Field Strength [MHz]	600.2000122070312
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 600.2000122070312

Axis: 1 (H)		Axis: 2 (H)
Atom	Shift	Atom	Shift
3	3.5	4	3.27
3	3.5	2	3.35
5	3.71	4	3.27
5	3.71	6	3.68
1	4.99	2	3.35

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Spectral Data

Additional Data

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Type: H,C-HSQC 600.2000122070312

Axis: 1 (H)		Axis: 2 (C)
Atom	Shift	Shift
4	3.27	79.05
2	3.35	79.97
8	3.4	54.92
7	3.41	58.34
9	3.47	57.84
3	3.5	82.25
11	3.54	59.97
10	3.6	60.16
6	3.68	70.48
5	3.71	69.11
1	4.99	96.66

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Spectral Data

Additional Data

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Type: H,C-HMBC 600.2000122070312

Axis: 1 (H)		Axis: 2 (C)
Atom	Shift	Atom	Shift
4	3.27	6	70.48
4	3.27	5	69.11
4	3.27	3	82.25
4	3.27	11	59.97
2	3.35	3	82.25
8	3.4	1	96.66
7	3.41	6	70.48
9	3.47	2	79.97
3	3.5	2	79.97
3	3.5	10	60.16
11	3.54	4	79.05
10	3.6	3	82.25
5	3.71	4	79.05
1	4.99	3	82.25
1	4.99	2	79.97
1	4.99	8	54.92
1	4.99	5	69.11

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