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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-26,28-BIS-[2-(METHYLSULFANYL)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID I6V2FzA4rQ9
InChI InChI=1S/C50H68O4S2/c1-47(2,3)39-23-31-19-35-27-41(49(7,8)9)29-37(45(35)53-15-17-55-13)21-33-25-40(48(4,5)6)26-34(44(33)52)22-38-30-42(50(10,11)12)28-36(20-32(24-39)43(31)51)46(38)54-16-18-56-14/h23-30,51-52H,15-22H2,1-14H3
InChIKey DKWOMOMMOUZRFI-UHFFFAOYSA-N
Mol Weight 797.2 g/mol
Molecular Formula C50H68O4S2
Exact Mass 796.455903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdV4bNSv4Z5
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-26,28-BIS-[2-(METHYLSULFANYL)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H68O4S2
InChI InChI=1S/C50H68O4S2/c1-47(2,3)39-23-31-19-35-27-41(49(7,8)9)29-37(45(35)53-15-17-55-13)21-33-25-40(48(4,5)6)26-34(44(33)52)22-38-30-42(50(10,11)12)28-36(20-32(24-39)43(31)51)46(38)54-16-18-56-14/h23-30,51-52H,15-22H2,1-14H3
InChIKey DKWOMOMMOUZRFI-UHFFFAOYSA-N
Literature Reference Author A.F.D.DENAMOR,R.G.HUTCHERSON,F.J.S.VELARDE,A.ALVAREZ-LARENA, J.L.BRIANSO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2933(1998)
Literature Reference DOI 10.1039/a802410c
Molecular Weight 797.208 g/mol
Solvent CDCl3
Source File Reference UWSI7340