Thiocolchicoside

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Systematic / IUPAC Name: N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

ID: Reference2139

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

Formula: C27H33NO10S

Class: Therapeutics/Prescription Drugs

Spectral Data

Thiocolchicoside 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/29/2015 1:16:08 PM
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Identificators

InChI InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)
InChI Key LEQAKWQJCITZNK-UHFFFAOYSA-N
Canonical SMILES CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
CAS 602415
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Other Names Thiocolchicoside;
N-(3-(Hexopyranosyloxy)-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

In Other Databases

PubChem 287691
ChemSpider 253701
Wikipedia Thiocolchicoside