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This molecule without stereoconfiguration:


ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Molecule
60000009
Chemical name(s)Colchicin
Chemical formulaC22H25NO6
Molecular weight399.438
Number of double bond equivalents (DBEs)11.0
Number of all rings, size of smallest set of smallest rings6, 3
Canonical name(s)
CAS-Number 75520-89-7
Additional information
Links from Unichem: ChEMBL;PDBe (Protein Data Bank Europe);Guide to Pharmacology;PubChem ('Drugs of the Future' subset);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/60000009
13C Spectrum
60000131 Rating: 10
Type13C
Measurement conditions
Temperature [K]298
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]150.0
Assignment Method1H standard spectrum, H,H COSY, H,H NOESY, H,C HMQC/HSQC, H,C HMBC, 13C APT
Literature Johannes Appun; Hans-Ullrich Siehl; Klaus-Peter Zeller; Katrin Steinke; Stefan Berger; Dieter Sicker: Colchicin, in: Chemie in unserer Zeit, vol. 48/2014, pp. 36 - 44 (DOI: 10.1002/ciuz.201400653)
Additional comments
Additional information
Spectrum categoriesChiuZ



Spectral Data   Additional Data   Download  
Type: 1H 600.0 Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
18-H
4-H 6.550
5-H 2.390, 2.520
6-H 1.956, 2.350
7-H 4.660
8-H 7.630
11-H (10.9) 6.900
12-H (10.9) 7.356
13-H 3.660
14-H 3.940
15-H 3.910
16-H 1.970
16-H 4.010

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 600.0 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
6 1.95 7 4.65
5 1.95 6 2.39
6 2.35 7 4.65
16 4.01 11 6.9
7 4.65 18 8.12
11 6.9 12 7.36

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 600.0 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
6 1.95 36.5
16 1.97 22.8
6 2.35 36.5
5 2.39 29.9
5 2.52 29.9
13 3.66 61.6
15 3.91 56.2
14 3.94 61.4
16 4.01 56.5
7 4.65 52.7
4 6.53 107.4
11 6.9 112.9
12 7.36 135.6
8 7.63 130.5

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 600.0 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
6 1.95 5 29.9
6 1.95 7 52.7
6 1.95 4a 134.3
16 1.97 17 170.1
6 2.35 5 29.9
6 2.35 7 52.7
6 2.35 7a 152.6
5 2.39 4a 134.3
5 2.39 12b 125.6
5 2.39 4 107.4
5 2.39 6 36.5
5 2.52 6 36.5
5 2.52 7 52.7
5 2.52 4 107.4
5 2.52 12b 125.6
5 2.52 4a 134.3
13 3.66 1 151.2
15 3.91 3 153.6
14 3.94 2 141.7
16 4.01 10 164.1
16 4.01 11 112.9
7 4.65 7a 152.6
7 4.65 6 36.5
7 4.65 8 130.5
7 4.65 12a 137.0
7 4.65 17 170.1
4 6.53 5 29.9
4 6.53 12b 125.6
4 6.53 2 141.7
4 6.53 1 151.2
4 6.53 3 153.6
4 6.53 4a 134.3
11 6.9 12a 137.0
11 6.9 10 164.1
11 6.9 9 179.5
12 7.36 12b 125.6
12 7.36 12a 137.0
12 7.36 7a 152.6
12 7.36 10 164.1
8 7.63 7 52.7
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
8 7.63 12a 137.0
8 7.63 7a 152.6
8 7.63 10 164.1
8 7.63 9 179.5
18 8.12 7 52.7
18 8.12 17 170.1
18 8.12 6 36.5

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 125.0 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
16 1.97 18 8.12
7 2.35 6 4.65
4 2.52 5 6.53
15 3.91 4 6.53
16 4.01 11 6.9
11 6.9 12 7.36
8 7.63 18 8.12

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DOI for this dataset: 10.18716/nmrshiftdb2/60000009/chiuz_cdcl3
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