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N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide
SpectraBase Compound ID J99M1hQgScA
InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChIKey CMEGANPVAXDBPL-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaeKIwhoHjP
Name N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide
CAS Registry Number 2731-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChIKey CMEGANPVAXDBPL-UHFFFAOYSA-N
Molecular Weight 415.504 g/mol
SMILES N(C(C)=O)C1CCc2c(c(OC)c(c(c2)OC)OC)C=2C1=CC(C(=CC2)SC)=O
SPLASH splash10-00o0-0029100000-a6d08c11f78b168debb7
Source of Spectrum H-68-2176-4
Synonyms N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide N-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide N-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Thiocolchicine
Wiley ID 1375963