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N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide

Compound with spectra: 2 NMR, and 1 FTIR

N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide
SpectraBase Compound ID C4veA1lR3P6
InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey PKYOHQGXPPVIGD-HNNXBMFYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol
Enantiomer InChIKey PKYOHQGXPPVIGD-OAHLLOKOSA-N
Racemate InChIKey PKYOHQGXPPVIGD-UHFFFAOYSA-N

View Spectrum of N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol-d

View Spectrum of N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample A. Brossi and P. N. Sharma, Nih, Bethesda, Maryland
Technique KBr WAFER

View Spectrum of N-[1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 3-DEMETHYLTHIOCOLCHICINE
  • THIOCOLCHICINE, 3-DEMETHYL-,
  • ACETAMIDE, N-/1,2-DIMETHOXY- 3-HYDROXY-10-/METHYLTHIO/-9-OXO- 5,6,7,9-TETRAHYDROBENZO/A/HEPTALEN- 7A-YL/-,
D3;N-[1,2-DIMETHOXY-3-HYDROXY-10-METHYLSULPHANYL-9-OXO-5,6,7,9-TETRAHYDRO-BENZO-[A]-HEPTALEN-7-YL]-ACETAMIDE;3-O-DEMETHYLTHIOCOLCHICINE
10-Iodocolchicide
COLCHICAMIDE
N-[1,3-dimethoxy-2-hydroxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7alpha-yl]acetamide
N-(10-Ethoxy-5,6,7,8-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide
N-(10-Amino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)-2,2,2-trifluoroacetamide
N-[(7R)-10-(butylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
N-DEACETYL-N-3-OXOBUTYRYLCOLCHICINE
N-(3,13-Dimethoxy-4-oxo-4,6,7,8-tetrahydroheptaleno[1,2-f][1,3]benzodioxol-6-yl)acetamide
N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Title Journal or Book Year
1H- and 13C-Nmr Spectra of Thiocolchicine and Derivatives: A Complete Analysis Journal of Natural Products 1995
Other Resources
Unknown Identification

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