| SpectraBase Compound ID | DLR3CkV66u7 |
|---|---|
| InChI | InChI=1S/C38H74O5Si3/c1-14-40-36(39)23-18-27(5)31-21-22-32-30-20-19-28-24-29(41-44(8,9)15-2)25-34(42-45(10,11)16-3)37(28,6)33(30)26-35(38(31,32)7)43-46(12,13)17-4/h27-35H,14-26H2,1-13H3/t27-,28?,29?,30+,31-,32+,33+,34-,35?,37+,38-/m1/s1 |
| InChIKey | DJOSXFDNJYKZCW-FSEXRKSJSA-N |
| Mol Weight | 695.3 g/mol |
| Molecular Formula | C38H74O5Si3 |
| Exact Mass | 694.484405 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4OVRiruJZ0B |
|---|---|
| Name | Ethyl 1.beta.,3,12-tris(dimethylethylsilyloxy)-cholanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H74O5Si3 |
| InChI | InChI=1S/C38H74O5Si3/c1-14-40-36(39)23-18-27(5)31-21-22-32-30-20-19-28-24-29(41-44(8,9)15-2)25-34(42-45(10,11)16-3)37(28,6)33(30)26-35(38(31,32)7)43-46(12,13)17-4/h27-35H,14-26H2,1-13H3/t27-,28?,29?,30+,31-,32+,33+,34-,35?,37+,38-/m1/s1 |
| InChIKey | DJOSXFDNJYKZCW-FSEXRKSJSA-N |
| Molecular Weight | 695.260 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2O[Si](CC)(C)C)[H])([C@@](CC(C4)O[Si](CC)(C)C)(O[Si](CC)(C)C)[H])C)[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C |
| SPLASH | splash10-0002-0091024000-da1f523a60477a848896 |
| Source of Spectrum | JC-488-320-0 |
| Synonyms | Ethyl (1beta)-1,3,12-tris{[ethyl(dimethyl)silyl]oxy}cholan-24-oate |
| Wiley ID | 1414865 |