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Cholic acid tetra(trimethylsilyl) ester
SpectraBase Compound ID IbkD7DMwWsA
InChI InChI=1S/C36H72O5Si4/c1-25(16-19-33(37)41-45(13,14)15)28-17-18-29-34-30(24-32(36(28,29)3)40-44(10,11)12)35(2)21-20-27(38-42(4,5)6)22-26(35)23-31(34)39-43(7,8)9/h25-32,34H,16-24H2,1-15H3/t25-,26+,27-,28-,29+,30+,31-,32+,34+,35+,36-/m1/s1
InChIKey FUBDSUQXLCQNJD-QTOSBXDUSA-N
Mol Weight 697.3 g/mol
Molecular Formula C36H72O5Si4
Exact Mass 696.445682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wKjd3oSh0y
Name Cholic acid tetra(trimethylsilyl) ester
Source of Sample Sigma-Aldrich Cat. #C1129
CAS Registry Number 63676-37-9
Classification Sterol esters; Sterol trimethylsilyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H72O5Si4
InChI InChI=1S/C36H72O5Si4/c1-25(16-19-33(37)41-45(13,14)15)28-17-18-29-34-30(24-32(36(28,29)3)40-44(10,11)12)35(2)21-20-27(38-42(4,5)6)22-26(35)23-31(34)39-43(7,8)9/h25-32,34H,16-24H2,1-15H3/t25-,26+,27-,28-,29+,30+,31-,32+,34+,35+,36-/m1/s1
InChIKey FUBDSUQXLCQNJD-QTOSBXDUSA-N
Number of Peaks 50
RI4 3271
SMILES [C@@]1(CC[C@@]2([C@]3(C[C@@]([C@@]4([C@](CC[C@]4([C@@]3([C@@](C[C@@]2(C1)[H])(O[Si](C)(C)C)[H])[H])[H])([C@@](CCC(=O)O[Si](C)(C)C)(C)[H])[H])C)(O[Si](C)(C)C)[H])[H])C)(O[Si](C)(C)C)[H]
SPLASH splash10-0ufr-5972210000-455a7b4eebfbab04971b
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3a,5b,7a,12a)-
Wiley ID LM_LIPIDS2016_315