Colchicine

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Systematic / IUPAC Name: N-(1,2,3,10-Tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

ID: Reference1996

Other Names: N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

Formula: C22H25NO6

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines Natural Toxins

Spectral Data

Colchicine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 164
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 10:56:36 AM
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Identificators

InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChI Key IAKHMKGGTNLKSZ-UHFFFAOYSA-N
Canonical SMILES CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
CAS 64868
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Other Names N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

In Other Databases

PubChem 2833
ChEMBL CHEMBL87
Wikipedia Colchicine
ChEBI CHEBI:23359
ChemSpider 2731