| SpectraBase Compound ID | ARJFxoSdT6Y |
|---|---|
| InChI | InChI=1S/C27H48S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | NPKSASBYOFFFMJ-UJOPKFNNSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C27H48S |
| Exact Mass | 404.347673 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D36sudJ5Ojj |
|---|---|
| Name | Cholestane-3.beta.-thiol |
| Alternate Name(s) | (3beta)-cholestane-3-thiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48S |
| InChI | InChI=1S/C27H48S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | NPKSASBYOFFFMJ-UJOPKFNNSA-N |
| Molecular Weight | 404.741 g/mol |
| SMILES | S[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0fr2-0090100000-dc64f15cf6fa384d298e |
| Source of Spectrum | AT-32-2958-1 |
| Wiley ID | 835884 |