11-NITRO-23-HYDROXYCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE

SpectraBase Compound ID	7GlpHNxxxvo
InChI	InChI=1S/C35H35NO8/c1-3-11-43-33-21-7-5-9-23(33)15-27-19-30(36(41)42)20-28(32(27)38)16-24-10-6-8-22(34(24)44-12-4-2)14-26-18-29(35(39)40)17-25(13-21)31(26)37/h5-10,17-20,37-38H,3-4,11-16H2,1-2H3,(H,39,40)
InChIKey	NKXAIIOLKMPIIP-UHFFFAOYSA-N Google Search
Mol Weight	597.7 g/mol
Molecular Formula	C35H35NO8
Exact Mass	597.236267 g/mol

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SpectraBase Spectrum ID	4DYaxCfaZRX
Name	11-NITRO-23-HYDROXYCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number	4
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C35H35NO8
InChI	InChI=1S/C35H35NO8/c1-3-11-43-33-21-7-5-9-23(33)15-27-19-30(36(41)42)20-28(32(27)38)16-24-10-6-8-22(34(24)44-12-4-2)14-26-18-29(35(39)40)17-25(13-21)31(26)37/h5-10,17-20,37-38H,3-4,11-16H2,1-2H3,(H,39,40)
InChIKey	NKXAIIOLKMPIIP-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	597.665 g/mol
Sample ID	36902
Solvent	CDCl3