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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-HYDROXYCHOLANOATE

Compound with spectra: 1 NMR

7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE
SpectraBase Compound ID 8MlbcjvdvHk
InChI InChI=1S/C82H111Cl3O13/c1-54(27-33-74(87)93-49-82(83,84)85)64-29-31-67-77-69(44-73(80(64,67)5)97-53-92-48-59-25-17-10-18-26-59)79(4)38-36-63(40-61(79)42-71(77)95-51-90-46-57-21-13-8-14-22-57)98-75(88)34-28-55(2)65-30-32-66-76-68(43-72(81(65,66)6)96-52-91-47-58-23-15-9-16-24-58)78(3)37-35-62(86)39-60(78)41-70(76)94-50-89-45-56-19-11-7-12-20-56/h7-26,54-55,60-73,76-77,86H,27-53H2,1-6H3/t54?,55?,60?,61?,62-,63+,64-,65-,66?,67?,68+,69-,70-,71+,72+,73-,76-,77-,78+,79-,80+,81-/m0/s1
InChIKey SWAHDEWILOFLOE-FYJOAMGVSA-N
Mol Weight 1411.1 g/mol
Molecular Formula C82H111Cl3O13
Exact Mass 1408.709027 g/mol
Enantiomer InChIKey SWAHDEWILOFLOE-KMXOGABBSA-N

View Spectrum of 7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
2,2,2-TRICHLOROETHYL-3-HYDROXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOATE
METHYL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE
METHYL-12-BENZYLOXY-3-HYDROXY-7-(2-METHOXYETHOXYMETHOXY)-CHOLANOATE
DIETHYL-3-ALPHA,7-ALPHA,12-ALPHA-TRIFORMYLOXY-24-OXO-5-BETA-CHOLESTANE-26,27-DIOATE;ENOL-FORM
DIETHYL-3-ALPHA,7-ALPHA,12-ALPHA-TRIFORMYLOXY-24-OXO-5-BETA-CHOLESTANE-26,27-DIOATE;KETONE-FORM
BIS-[(7,12-DIMETHOXY-23-METHOXYCARBONYL)-CHOLANYL-3-OXY]-N,N'-XYLYLENE-DICARBAMATE
Cholic acid tetra(trimethylsilyl) ester
Cholic acid, 4TMS
Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)-
Title Journal or Book Year
Thermodynamically-controlled cyclisation and interconversion of oligocholates: metal ion templated ‘living’ macrolactonisation Journal of the Chemical Society, Perkin Transactions 1 1997
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