| SpectraBase Compound ID | D8fU96DfyuD |
|---|---|
| InChI | InChI=1S/C27H48S/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | VEAYMAZTHAWMQB-RDFPUAQXSA-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 | 1ZC8QQK2D8R |
|---|---|
| Name | Cholestane-2.alpha.-thiol |
| Alternate Name(s) | (2alpha)-cholestane-2-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)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | VEAYMAZTHAWMQB-RDFPUAQXSA-N |
| Molecular Weight | 404.741 g/mol |
| SMILES | S[C@@]1(C[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2CC1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-00kb-0190100000-df306acb3a4c197b1c76 |
| Source of Spectrum | AT-32-2958-2 |
| Wiley ID | 835883 |