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5,11,17,23-Tetrakis(T-butyl)-28-ethoxy-pentacyclo(19.3.1.1/3,7/.1/9,13/.1/15,19/)octacosa-dodecene-25,26,27-triol
SpectraBase Compound ID AXVVJzYoBRB
InChI InChI=1S/C46H60O4/c1-14-50-42-33-17-31-23-36(44(5,6)7)21-29(40(31)48)15-27-19-35(43(2,3)4)20-28(39(27)47)16-30-22-37(45(8,9)10)24-32(41(30)49)18-34(42)26-38(25-33)46(11,12)13/h19-26,47-49H,14-18H2,1-13H3
InChIKey VXKBIVXIFDGAJG-UHFFFAOYSA-N
Mol Weight 677.0 g/mol
Molecular Formula C46H60O4
Exact Mass 676.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8I07CrT56u
Name 5,11,17,23-Tetrakis(T-butyl)-28-ethoxy-pentacyclo(19.3.1.1/3,7/.1/9,13/.1/15,19/)octacosa-dodecene-25,26,27-triol
Comments BRUKER AC100 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H60O4
InChI InChI=1S/C46H60O4/c1-14-50-42-33-17-31-23-36(44(5,6)7)21-29(40(31)48)15-27-19-35(43(2,3)4)20-28(39(27)47)16-30-22-37(45(8,9)10)24-32(41(30)49)18-34(42)26-38(25-33)46(11,12)13/h19-26,47-49H,14-18H2,1-13H3
InChIKey VXKBIVXIFDGAJG-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Casnati, A. Arduini, R. Ungaro, Tetrahedron 47, 2221 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3