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ChiuZ/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)  
Spectral Data   Additional Data   Download  
Molecule
60002118
Chemical name(s)Berberinchlorid
Chemical formulaC20H18NO4Cl
Molecular weight371.815
Number of double bond equivalents (DBEs)12.0
Number of all rings, size of smallest set of smallest rings15, 5
Canonical name(s)
CAS-Number 633-65-8
Additional information
Links from Unichem: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEMBL;PubChem ('Drugs of the Future' subset);eMolecules;PubChem Compounds;PubChem Compounds;Probes And Drugs;PubChem ('Thomson Pharma' subset);AC... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/60002118
13C Spectrum
60001484 Rating: 7 (4: 4: nmrshiftdb2 quality check: revision (admin), 10: assignment correct (nes_www))
Type13C
Measurement conditions
Temperature [K]298
SolventDimethylsulphoxide-D6 (DMSO-D6, C2D6SO)
Field Strength [MHz]100.0
Assignment Method1H standard spectrum, H,H COSY, H,H NOESY, H,C HMQC/HSQC, H,C HMBC, 13C APT
Literature
Additional comments
nmrshiftdb2 quality report Download
Additional information
Spectrum categoriesChiuZ



Spectral Data   Additional Data   Download  
Type: 1H 400.0
Atom
Mult.(coupling const.)
Meas.
Shift
2-H 6.18
4-H 7.10
5-H 3.21
6-H 4.95
8-H 9.92
11-H d (9.3) 8.21
12-H d (9.3) 8.01
13-H s 8.97
14-H s 7.80
15-H s;s;s 4.10
16-H s;s;s 4.07

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 400.0
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
5 3.21 6 4.95
11 8.01 12 8.21

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 400.0
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
5 3.21 25.8
16 4.07 56.5
15 4.1 61.4
6 4.95 54.7
2 6.18 101.6
4 7.09 107.9
14 7.8 104.9
12 8.01 123.0
11 8.21 126.2
13 8.97 119.7
8 9.91 145.0

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 400.0
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
5 3.21 6 54.7
5 3.21 4 107.9
5 3.21 4a 130.2
16 4.07 10 149.9
15 4.1 9 143.1
6 4.95 5 25.8
6 4.95 8 145.0
6 4.95 13a 137.0
6 4.95 4a 130.2
2 6.18 3a 149.3
2 6.18 14a 147.2
4 7.09 14a 147.2
4 7.09 5 25.8
4 7.09 13b 120.9
14 7.8 13a 137.0
14 7.8 14a 147.2
14 7.8 3a 149.3
14 7.8 4a 130.2
12 8.01 11 126.2
12 8.01 9 143.1
12 8.01 12a 132.5
12 8.01 8a 120.0
12 8.01 10 149.9
11 8.21 12a 132.5
11 8.21 9 143.1
11 8.21 12 123.0
11 8.21 10 149.9
13 8.97 13a 137.0
13 8.97 12 123.0
13 8.97 13b 120.9
13 8.97 8a 120.0
8 9.91 6 54.7
8 9.91 12a 132.5
8 9.91 13a 137.0
8 9.91 8a 120.0
8 9.91 9 143.1

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 400.0
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
16 4.07 11 8.21
15 4.1 8 9.91
6 4.95 8 9.91
14 7.8 13 8.97
12 8.01 13 8.97

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DOI for this dataset: 10.18716/nmrshiftdb2/60002118/chiuz_dmso-d6
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