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3-TERT.-BUTYLDIMETHYLSILYLOXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOIC-ACID
SpectraBase Compound ID EG4mR6VtADP
InChI InChI=1S/C46H70O7Si/c1-32(19-22-42(47)48)37-20-21-38-43-39(27-41(46(37,38)6)52-31-50-29-34-17-13-10-14-18-34)45(5)24-23-36(53-54(7,8)44(2,3)4)25-35(45)26-40(43)51-30-49-28-33-15-11-9-12-16-33/h9-18,32,35-41,43H,19-31H2,1-8H3,(H,47,48)/t32?,35?,36-,37+,38?,39+,40-,41+,43+,45+,46-/m1/s1
InChIKey SFJYPAUFCMFHPY-GXPXTNQQSA-N
Mol Weight 763.1 g/mol
Molecular Formula C46H70O7Si
Exact Mass 762.489081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSFvuiwWgYm
Name 3-TERT.-BUTYLDIMETHYLSILYLOXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOIC-ACID
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70O7Si
InChI InChI=1S/C46H70O7Si/c1-32(19-22-42(47)48)37-20-21-38-43-39(27-41(46(37,38)6)52-31-50-29-34-17-13-10-14-18-34)45(5)24-23-36(53-54(7,8)44(2,3)4)25-35(45)26-40(43)51-30-49-28-33-15-11-9-12-16-33/h9-18,32,35-41,43H,19-31H2,1-8H3,(H,47,48)/t32?,35?,36-,37+,38?,39+,40-,41+,43+,45+,46-/m1/s1
InChIKey SFJYPAUFCMFHPY-GXPXTNQQSA-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 763.143 g/mol
Solvent CDCl3
Source File Reference UWCP12137