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2-[6,9-DIHYDRO-9,9-DIMETHYL-(1)-BENZOTHIOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL-METHANESULFONATE
SpectraBase Compound ID 4G1stmipKdJ
InChI InChI=1S/C21H20N2O4S2/c1-21(2)9-8-13-16(27-21)12-15-18-19(22-23(15)10-11-26-29(3,24)25)14-6-4-5-7-17(14)28-20(13)18/h4-9,12H,10-11H2,1-3H3
InChIKey WACHLTZFCFJXBX-UHFFFAOYSA-N
Mol Weight 428.52 g/mol
Molecular Formula C21H20N2O4S2
Exact Mass 428.086449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMS34vEVbXd
Name 2-[6,9-DIHYDRO-9,9-DIMETHYL-(1)-BENZOTHIOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL-METHANESULFONATE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N2O4S2
InChI InChI=1S/C21H20N2O4S2/c1-21(2)9-8-13-16(27-21)12-15-18-19(22-23(15)10-11-26-29(3,24)25)14-6-4-5-7-17(14)28-20(13)18/h4-9,12H,10-11H2,1-3H3
InChIKey WACHLTZFCFJXBX-UHFFFAOYSA-N
Literature Reference Author I.K.KOSTAKIS,P.MAGIATIS,N.POULI,P.MARAKOS,A.L.SKALTSOUNIS,H. PRATSINIS,S.LEONCE,A
Literature Reference Citation J.MED.CHEM.,45,2599(2002)
Literature Reference DOI 10.1021/jm011117g
Molecular Weight 428.521 g/mol
Sample ID 64409
Solvent CDCl3