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Cholan-24-oic acid, 3-[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.)-
SpectraBase Compound ID 4hy0rwhHq2a
InChI InChI=1S/C30H54O3Si/c1-8-32-28(31)15-10-21(3)25-13-14-26-24-12-11-22-20-23(33-34(6,7)9-2)16-18-29(22,4)27(24)17-19-30(25,26)5/h21-27H,8-20H2,1-7H3/t21-,22-,23-,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey LBYSAZHKXSGDFD-DDKBJGPJSA-N
Mol Weight 490.8 g/mol
Molecular Formula C30H54O3Si
Exact Mass 490.384222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tXV7vwM5vj
Name Cholan-24-oic acid, 3-[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.)-
Alternate Name(s) Ethyl 3.alpha.-(dimethylethylsilyloxy)-5.beta.-cholanoate Ethyl (3alpha,5beta)-3-{[ethyl(dimethyl)silyl]oxy}cholan-24-oate Lithocholic acid ethyl ester dimethylethylsilyl ether
CAS Registry Number 69519-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O3Si
InChI InChI=1S/C30H54O3Si/c1-8-32-28(31)15-10-21(3)25-13-14-26-24-12-11-22-20-23(33-34(6,7)9-2)16-18-29(22,4)27(24)17-19-30(25,26)5/h21-27H,8-20H2,1-7H3/t21-,22-,23-,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey LBYSAZHKXSGDFD-DDKBJGPJSA-N
Molecular Weight 490.844 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[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-0055900000-c789979b09ced8fe056f
Source of Spectrum JC-488-320-0
Wiley ID 1397330