| SpectraBase Compound ID | YagkhHRcjn |
|---|---|
| InChI | InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23-,24-,25+,26+,27-,29+,30+,31-/m1/s1 |
| InChIKey | FUVKOFYYHKWFJK-QRGURNCMSA-N |
| Mol Weight | 551.0 g/mol |
| Molecular Formula | C31H58O4Si2 |
| Exact Mass | 550.387363 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CQPDU1lCaOB |
|---|---|
| Name | Chenodeoxycholic acid methyl ester TMS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H58O4Si2 |
| InChI | InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23-,24-,25+,26+,27-,29+,30+,31-/m1/s1 |
| InChIKey | FUVKOFYYHKWFJK-QRGURNCMSA-N |
| Molecular Weight | 550.971 g/mol |
| SMILES | [C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])(O[Si](C)(C)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH | splash10-00di-6539000000-81657faafad969654d50 |
| Source of Spectrum | JZ-1992-3025-0 |
| Synonyms | Methyl (3alpha,5beta,7alpha)-3,7-bis[(trimethylsilyl)oxy]cholan-24-oate (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 1405748 |