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Demecolceine
SpectraBase Compound ID IRcPVkuk2na
InChI InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-8-15(22)16(23)10-13(12)14/h6,8-10,14,21H,5,7H2,1-4H3,(H,22,23)
InChIKey ATWWYGQDYGSWQA-UHFFFAOYSA-N
Mol Weight 357.41 g/mol
Molecular Formula C20H23NO5
Exact Mass 357.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXxF8x6yzz2
Name 10-Hydroxy-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Alternate Name(s) Colchameine Colchiceine, 7-deacetamido-7-(methylamino)- Colchiceine, N-deacetyl-N-methyl- Colchiceine, N-desacetyl-N-methyl- Demecolceine NSC 36559
CAS Registry Number 518-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO5
InChI InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-8-15(22)16(23)10-13(12)14/h6,8-10,14,21H,5,7H2,1-4H3,(H,22,23)
InChIKey ATWWYGQDYGSWQA-UHFFFAOYSA-N
Molecular Weight 357.406 g/mol
SMILES OC1=CC=C2C(C(CCc3cc(c(c(c23)OC)OC)OC)NC)=CC1=O
SPLASH splash10-0a4i-0089000000-3bf1662e84b49c1d3e20
Source of Spectrum H-62-969-0
Wiley ID 1346477