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Cholan-24-oic acid, 3,12-bis[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.,12.alpha.)-
SpectraBase Compound ID yQS1OhNVNg
InChI InChI=1S/C34H64O4Si2/c1-11-36-32(35)19-14-24(4)28-17-18-29-27-16-15-25-22-26(37-39(7,8)12-2)20-21-33(25,5)30(27)23-31(34(28,29)6)38-40(9,10)13-3/h24-31H,11-23H2,1-10H3/t24-,25-,26-,27+,28-,29+,30+,31+,33+,34-/m1/s1
InChIKey IDVRXBQOZWPJDO-UIYATAKPSA-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 18v8p1C6UWa
Name Cholan-24-oic acid, 3,12-bis[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.,12.alpha.)-
Alternate Name(s) Ethyl 3.alpha.,12.alpha.-bis(dimethylethylsilyloxy)-5.beta.-cholanoate Deoxycholic acid ethyl ester dimethylethylsilyl ether Ethyl (3alpha,5beta,12alpha)-3,12-bis{[ethyl(dimethyl)silyl]oxy}cholan-24-oate
CAS Registry Number 69519-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H64O4Si2
InChI InChI=1S/C34H64O4Si2/c1-11-36-32(35)19-14-24(4)28-17-18-29-27-16-15-25-22-26(37-39(7,8)12-2)20-21-33(25,5)30(27)23-31(34(28,29)6)38-40(9,10)13-3/h24-31H,11-23H2,1-10H3/t24-,25-,26-,27+,28-,29+,30+,31+,33+,34-/m1/s1
InChIKey IDVRXBQOZWPJDO-UIYATAKPSA-N
Molecular Weight 593.052 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@@]2(O[Si](CC)(C)C)[H])[H])(CC[C@@](O[Si](CC)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C
SPLASH splash10-03di-0020090000-c4bd75937ebead850edc
Source of Spectrum KO-5-471-2
Wiley ID 1409504