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7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-(2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-TERT.-BUTYLDIMETHYLSILYLOXYCHOLANOATE
SpectraBase Compound ID DLSXgeXMcWy
InChI InChI=1S/C88H125Cl3O13Si/c1-59(32-38-79(92)98-54-88(89,90)91)69-34-36-71-81-73(48-77(86(69,71)8)101-57-96-52-63-28-20-14-21-29-63)84(6)42-40-67(44-65(84)46-75(81)99-55-94-50-61-24-16-12-17-25-61)103-80(93)39-33-60(2)70-35-37-72-82-74(49-78(87(70,72)9)102-58-97-53-64-30-22-15-23-31-64)85(7)43-41-68(104-105(10,11)83(3,4)5)45-66(85)47-76(82)100-56-95-51-62-26-18-13-19-27-62/h12-31,59-60,65-78,81-82H,32-58H2,1-11H3/t59?,60?,65?,66?,67-,68+,69+,70-,71?,72?,73+,74-,75-,76+,77+,78-,81+,82-,84+,85-,86-,87+/m0/s1
InChIKey LVYDWASGUPYPBV-BVSLKLJZSA-N
Mol Weight 1525.4 g/mol
Molecular Formula C88H125Cl3O13Si
Exact Mass 1522.795504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8xJ2hRY549
Name 7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-(2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-TERT.-BUTYLDIMETHYLSILYLOXYCHOLANOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H125Cl3O13Si
InChI InChI=1S/C88H125Cl3O13Si/c1-59(32-38-79(92)98-54-88(89,90)91)69-34-36-71-81-73(48-77(86(69,71)8)101-57-96-52-63-28-20-14-21-29-63)84(6)42-40-67(44-65(84)46-75(81)99-55-94-50-61-24-16-12-17-25-61)103-80(93)39-33-60(2)70-35-37-72-82-74(49-78(87(70,72)9)102-58-97-53-64-30-22-15-23-31-64)85(7)43-41-68(104-105(10,11)83(3,4)5)45-66(85)47-76(82)100-56-95-51-62-26-18-13-19-27-62/h12-31,59-60,65-78,81-82H,32-58H2,1-11H3/t59?,60?,65?,66?,67-,68+,69+,70-,71?,72?,73+,74-,75-,76+,77+,78-,81+,82-,84+,85-,86-,87+/m0/s1
InChIKey LVYDWASGUPYPBV-BVSLKLJZSA-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 1525.397 g/mol
Solvent CDCl3
Source File Reference UWCP12139