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5,11,17,23-TETRAKIS-(3-HYDROXYPROPYL)-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
SpectraBase Compound ID 27acipb7WIT
InChI InChI=1S/C52H72O8/c1-5-21-57-49-41-25-37(13-9-17-53)26-42(49)34-44-28-39(15-11-19-55)30-46(51(44)59-23-7-3)36-48-32-40(16-12-20-56)31-47(52(48)60-24-8-4)35-45-29-38(14-10-18-54)27-43(33-41)50(45)58-22-6-2/h25-32,53-56H,5-24,33-36H2,1-4H3
InChIKey LUMBVFACYSNRCZ-UHFFFAOYSA-N
Mol Weight 825.1 g/mol
Molecular Formula C52H72O8
Exact Mass 824.522719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QbulpjpV0v
Name 5,11,17,23-TETRAKIS-(3-HYDROXYPROPYL)-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H72O8
InChI InChI=1S/C52H72O8/c1-5-21-57-49-41-25-37(13-9-17-53)26-42(49)34-44-28-39(15-11-19-55)30-46(51(44)59-23-7-3)36-48-32-40(16-12-20-56)31-47(52(48)60-24-8-4)35-45-29-38(14-10-18-54)27-43(33-41)50(45)58-22-6-2/h25-32,53-56H,5-24,33-36H2,1-4H3
InChIKey LUMBVFACYSNRCZ-UHFFFAOYSA-N
Literature Reference Author A.DONDONI,M.KLEBAN,X.HU,A.MARRA,H.D.BANKS
Literature Reference Citation J.ORG.CHEM.,67,4722(2002)
Literature Reference DOI 10.1021/jo020178z
Molecular Weight 825.139 g/mol
Solvent CDCl3
Source File Reference UWSI21731