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6,7-DIHYDRO-6-(2,3,5,6-TETRAHYDROPYRAN-2-YL)-OXY-4-METHOXY-9-TOSYLAMINOPYRIDO-[3',2':4,5]-PYRROLO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID BlX4Wx5n2mm
InChI InChI=1S/2C23H26N4O5S/c2*1-15-6-8-16(9-7-15)33(28,29)26-23-25-14-20(32-21-5-3-4-12-31-21)18-13-17-19(30-2)10-11-24-22(17)27(18)23/h2*6-11,13,20-21H,3-5,12,14H2,1-2H3,(H,25,26)
InChIKey XPPKQISRFVWLGL-UHFFFAOYSA-N
Mol Weight 941.09 g/mol
Molecular Formula C46H52N8O10S2
Exact Mass 940.324782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jyy6mDMnnzb
Name 6,7-DIHYDRO-6-(2,3,5,6-TETRAHYDROPYRAN-2-YL)-OXY-4-METHOXY-9-TOSYLAMINOPYRIDO-[3',2':4,5]-PYRROLO-[1,2-C]-PYRIMIDINE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H52N8O10S2
InChI InChI=1S/2C23H26N4O5S/c2*1-15-6-8-16(9-7-15)33(28,29)26-23-25-14-20(32-21-5-3-4-12-31-21)18-13-17-19(30-2)10-11-24-22(17)27(18)23/h2*6-11,13,20-21H,3-5,12,14H2,1-2H3,(H,25,26)
InChIKey XPPKQISRFVWLGL-UHFFFAOYSA-N
Literature Reference Author A.AHAIDAR,D.FERNANDEZ,G.DANELON,C.CUEVAS,I.MANZANARES,F.ALBE RICIO,J.A.JOULE,M.AL
Literature Reference Citation J.ORG.CHEM.,68,10020(2003)
Literature Reference DOI 10.1021/jo035332b
Molecular Weight 941.086 g/mol
Solvent CDCl3
Source File Reference UWLU28441