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5,11,17,23-Tetrakis(T-butyl)-28-methoxy-pentacyclo(19.3.1.1/3,7/.1/9,13/.1/15,19/)octacosa-dodecene-25,26,27-triol
SpectraBase Compound ID sV0nEPVWnm
InChI InChI=1S/C45H58O4/c1-42(2,3)34-18-26-14-28-20-35(43(4,5)6)22-30(39(28)47)16-32-24-37(45(10,11)12)25-33(41(32)49-13)17-31-23-36(44(7,8)9)21-29(40(31)48)15-27(19-34)38(26)46/h18-25,46-48H,14-17H2,1-13H3
InChIKey LJDJLJXVVGTBJM-UHFFFAOYSA-N
Mol Weight 663.0 g/mol
Molecular Formula C45H58O4
Exact Mass 662.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8buCKqA1UJ3
Name 5,11,17,23-Tetrakis(T-butyl)-28-methoxy-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 C45H58O4
InChI InChI=1S/C45H58O4/c1-42(2,3)34-18-26-14-28-20-35(43(4,5)6)22-30(39(28)47)16-32-24-37(45(10,11)12)25-33(41(32)49-13)17-31-23-36(44(7,8)9)21-29(40(31)48)15-27(19-34)38(26)46/h18-25,46-48H,14-17H2,1-13H3
InChIKey LJDJLJXVVGTBJM-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