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5-[3-(BETA-D-GLUCOPYRANOSYLOXY)-PROPYL]-17-(3-HYDROXYPROPYL)-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
SpectraBase Compound ID HBgX8I8AWmg
InChI InChI=1S/C52H70O11/c1-5-20-58-48-36-15-9-17-38(48)31-42-27-35(14-12-24-62-52-47(57)46(56)45(55)44(33-54)63-52)28-43(51(42)61-23-8-4)32-39-18-10-16-37(49(39)59-21-6-2)30-41-26-34(13-11-19-53)25-40(29-36)50(41)60-22-7-3/h9-10,15-18,25-28,44-47,52-57H,5-8,11-14,19-24,29-33H2,1-4H3/t44-,45-,46+,47-,52-/m1/s1
InChIKey IOTJGSNZOQPUHZ-MXGJOCGMSA-N
Mol Weight 871.1 g/mol
Molecular Formula C52H70O11
Exact Mass 870.491813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73zaWbR7TnZ
Name 5-[3-(BETA-D-GLUCOPYRANOSYLOXY)-PROPYL]-17-(3-HYDROXYPROPYL)-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H70O11
InChI InChI=1S/C52H70O11/c1-5-20-58-48-36-15-9-17-38(48)31-42-27-35(14-12-24-62-52-47(57)46(56)45(55)44(33-54)63-52)28-43(51(42)61-23-8-4)32-39-18-10-16-37(49(39)59-21-6-2)30-41-26-34(13-11-19-53)25-40(29-36)50(41)60-22-7-3/h9-10,15-18,25-28,44-47,52-57H,5-8,11-14,19-24,29-33H2,1-4H3/t44-,45-,46+,47-,52-/m1/s1
InChIKey IOTJGSNZOQPUHZ-MXGJOCGMSA-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 871.121 g/mol
Solvent CDCl3
Source File Reference UWSI21727