| SpectraBase Spectrum ID |
2HGdomXT4GC |
| 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 |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
696.445681553 u |
| 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 |
| Molecular Weight |
697.307 g/mol |
| 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 |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| 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 |
