| SpectraBase Compound ID | BfAUEgpTvCZ |
|---|---|
| InChI | InChI=1S/C27H46S/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | QGVQZRDQPDLHHV-DPAQBDIFSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46S |
| Exact Mass | 402.332023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Avsl6EawWTS |
|---|---|
| Name | Thiocholesterol |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 136115 |
| CAS Registry Number | 1249-81-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46S |
| InChI | InChI=1S/C27H46S/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | QGVQZRDQPDLHHV-DPAQBDIFSA-N |
| Observed nucleus | 13C |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 5-Cholestene-3beta-thiol Cholesteryl mercaptan |
| Wiley ID | SIAL_13CNMR_001045 |