| SpectraBase Spectrum ID |
ITaTUhX8rls |
| Name |
Cholestane, 3-(ethylthio)-, (3.beta.,5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.378972848 u |
| Formula |
C29H52S |
| InChI |
InChI=1S/C29H52S/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h20-27H,7-19H2,1-6H3 |
| InChIKey |
MEQFTRKSIUIMGM-UHFFFAOYSA-N |
| Molecular Weight |
432.795 g/mol |
| SMILES |
C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(C[C@](CC2)(SCC)[H])[H])[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H] |
