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11-AMINO-23-HYDROXYCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID HupBSsZZMC3
InChI InChI=1S/C35H37NO6/c1-3-11-41-33-21-7-5-9-23(33)15-27-19-30(36)20-28(32(27)38)16-24-10-6-8-22(34(24)42-12-4-2)14-26-18-29(35(39)40)17-25(13-21)31(26)37/h5-10,17-20,37-38H,3-4,11-16,36H2,1-2H3,(H,39,40)
InChIKey XAJCTYMRGRBOML-UHFFFAOYSA-N
Mol Weight 567.7 g/mol
Molecular Formula C35H37NO6
Exact Mass 567.262088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpMSKEovqcu
Name 11-AMINO-23-HYDROXYCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H37NO6
InChI InChI=1S/C35H37NO6/c1-3-11-41-33-21-7-5-9-23(33)15-27-19-30(36)20-28(32(27)38)16-24-10-6-8-22(34(24)42-12-4-2)14-26-18-29(35(39)40)17-25(13-21)31(26)37/h5-10,17-20,37-38H,3-4,11-16,36H2,1-2H3,(H,39,40)
InChIKey XAJCTYMRGRBOML-UHFFFAOYSA-N
Literature Reference Author F.SANSONE,L.BALDINI,A.CASNATI,E.CHIERICI,G.FAIMANI,F.UGOZZOL I,R.UNGARO
Literature Reference Citation J.AM.CHEM.SOC.,126,6204(2004)
Literature Reference DOI 10.1021/ja031511z
Molecular Weight 567.682 g/mol
Sample ID 36903
Solvent DMSO-D6