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2-[6,12-DIHYDRO-9,9,12-TRIMETHYL-9H-PYRANO-[2,3-C]-PYRAZOLO-[3,4,5-M,N]-ACRIDIN-6-YL]-1-ETHANOL-METHANESULFONATE
SpectraBase Compound ID EYusVmTKbiP
InChI InChI=1S/C22H23N3O4S/c1-22(2)10-9-15-18(29-22)13-17-19-20(23-25(17)11-12-28-30(4,26)27)14-7-5-6-8-16(14)24(3)21(15)19/h5-10,13H,11-12H2,1-4H3
InChIKey LEAPXPHJXNGABH-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTOYl8qipDl
Name 2-[6,12-DIHYDRO-9,9,12-TRIMETHYL-9H-PYRANO-[2,3-C]-PYRAZOLO-[3,4,5-M,N]-ACRIDIN-6-YL]-1-ETHANOL-METHANESULFONATE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23N3O4S
InChI InChI=1S/C22H23N3O4S/c1-22(2)10-9-15-18(29-22)13-17-19-20(23-25(17)11-12-28-30(4,26)27)14-7-5-6-8-16(14)24(3)21(15)19/h5-10,13H,11-12H2,1-4H3
InChIKey LEAPXPHJXNGABH-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 425.502 g/mol
Sample ID 64410
Solvent CDCl3