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METHYL-3-TERT.-BUTYLDIMETHYLSILYLOXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOATE
SpectraBase Compound ID DyhmMcnRYKU
InChI InChI=1S/C47H72O7Si/c1-33(20-23-43(48)49-7)38-21-22-39-44-40(28-42(47(38,39)6)53-32-51-30-35-18-14-11-15-19-35)46(5)25-24-37(54-55(8,9)45(2,3)4)26-36(46)27-41(44)52-31-50-29-34-16-12-10-13-17-34/h10-19,33,36-42,44H,20-32H2,1-9H3/t33?,36?,37-,38+,39?,40+,41-,42+,44+,46+,47-/m1/s1
InChIKey LEXCXXIGXKSMPW-SRYYAZOUSA-N
Mol Weight 777.2 g/mol
Molecular Formula C47H72O7Si
Exact Mass 776.504731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXgBUnnp9qj
Name METHYL-3-TERT.-BUTYLDIMETHYLSILYLOXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H72O7Si
InChI InChI=1S/C47H72O7Si/c1-33(20-23-43(48)49-7)38-21-22-39-44-40(28-42(47(38,39)6)53-32-51-30-35-18-14-11-15-19-35)46(5)25-24-37(54-55(8,9)45(2,3)4)26-36(46)27-41(44)52-31-50-29-34-16-12-10-13-17-34/h10-19,33,36-42,44H,20-32H2,1-9H3/t33?,36?,37-,38+,39?,40+,41-,42+,44+,46+,47-/m1/s1
InChIKey LEXCXXIGXKSMPW-SRYYAZOUSA-N
Literature Reference Author P.A.BRADY,J.K.M.SANDERS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3237(1997)
Literature Reference DOI 10.1039/a703390g
Molecular Weight 777.170 g/mol
Solvent CDCl3
Source File Reference UWCP12136