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Cholan-24-oic acid, 3,7-bis[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.,7.beta.)-
SpectraBase Compound ID 6YAlVd8aLcY
InChI InChI=1S/C34H64O4Si2/c1-11-36-31(35)17-14-24(4)27-15-16-28-32-29(19-21-34(27,28)6)33(5)20-18-26(37-39(7,8)12-2)22-25(33)23-30(32)38-40(9,10)13-3/h24-30,32H,11-23H2,1-10H3/t24-,25+,26-,27-,28+,29+,30+,32+,33+,34-/m1/s1
InChIKey CLYMMZAZTADQQH-MILCCSIESA-N
Mol Weight 593.1 g/mol
Molecular Formula C34H64O4Si2
Exact Mass 592.434314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 528stuFgcZo
Name Cholan-24-oic acid, 3,7-bis[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.,7.beta.)-
Alternate Name(s) Ethyl 3.alpha.,7.beta.-bis(dimethylethylsilyloxy)-5.beta.-cholanoate Ethyl (3alpha,5beta,7beta)-3,7-bis{[ethyl(dimethyl)silyl]oxy}cholan-24-oate Ursodeoxycholic acid ethyl ester dimethylethylsilyl ether
CAS Registry Number 69519-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H64O4Si2
InChI InChI=1S/C34H64O4Si2/c1-11-36-31(35)17-14-24(4)27-15-16-28-32-29(19-21-34(27,28)6)33(5)20-18-26(37-39(7,8)12-2)22-25(33)23-30(32)38-40(9,10)13-3/h24-30,32H,11-23H2,1-10H3/t24-,25+,26-,27-,28+,29+,30+,32+,33+,34-/m1/s1
InChIKey CLYMMZAZTADQQH-MILCCSIESA-N
Molecular Weight 593.052 g/mol
SMILES [C@@]12([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](CC)(C)C)(C4)[H])C)[H])(O[Si](CC)(C)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C
SPLASH splash10-03di-0001190000-40ed1bec0dc3bda2fed4
Source of Spectrum JC-488-320-0
Wiley ID 1409512