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2-[6,9-DIHYDRO-9,9-DIMETHYL-1-METHOXY-(1)-BENZOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL-METHANESULFONATE

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2-[6,9-DIHYDRO-9,9-DIMETHYL-1-METHOXY-(1)-BENZOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL-METHANESULFONATE
SpectraBase Compound ID DxskkfttD2
InChI InChI=1S/C22H22N2O6S/c1-22(2)9-8-13-17(30-22)12-15-18-19(23-24(15)10-11-28-31(4,25)26)14-6-5-7-16(27-3)20(14)29-21(13)18/h5-9,12H,10-11H2,1-4H3
InChIKey MSYAAKDDTBIFTA-UHFFFAOYSA-N
Mol Weight 442.49 g/mol
Molecular Formula C22H22N2O6S
Exact Mass 442.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZLN8UyMcK
Name 2-[6,9-DIHYDRO-9,9-DIMETHYL-1-METHOXY-(1)-BENZOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL-METHANESULFONATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O6S
InChI InChI=1S/C22H22N2O6S/c1-22(2)9-8-13-17(30-22)12-15-18-19(23-24(15)10-11-28-31(4,25)26)14-6-5-7-16(27-3)20(14)29-21(13)18/h5-9,12H,10-11H2,1-4H3
InChIKey MSYAAKDDTBIFTA-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 442.486 g/mol
Sample ID 64408
Solvent CDCl3