| SpectraBase Spectrum ID |
mVSVDVIUb1 |
| Name |
Ursodeoxycholic acid tris(trimethylsilyl) ester |
| Source of Sample |
Sigma-Aldrich Cat. #U5127 |
| CAS Registry Number |
81721-37-1 |
| 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 |
608.411240142 u |
| Formula |
C33H64O4Si3 |
| InChI |
InChI=1S/C33H64O4Si3/c1-23(13-16-30(34)37-40(10,11)12)26-14-15-27-31-28(18-20-33(26,27)3)32(2)19-17-25(35-38(4,5)6)21-24(32)22-29(31)36-39(7,8)9/h23-29,31H,13-22H2,1-12H3/t23-,24+,25-,26-,27+,28+,29+,31+,32+,33-/m1/s1 |
| InChIKey |
TUMUEXLHVCPQOP-ZWXYOPMWSA-N |
| Molecular Weight |
609.126 g/mol |
| Number of Peaks |
504 |
| RI4 |
3326 |
| SMILES |
[C@@]1(CC[C@@]2([C@]3(CC[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)[H])C)(O[Si](C)(C)C)[H] |
| SPLASH |
splash10-05di-4961110000-c9bc04cab6b90d988e27 |
| 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-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3a,5b,7b)- |
| Wiley ID |
LM_LIPIDS2016_314 |
