| SpectraBase Compound ID | I96S5HKbgEU |
|---|---|
| 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/h17-19,21-25,28H,6-16H2,1-5H3 |
| InChIKey | FAODDNXUWZRRDC-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46S |
| Exact Mass | 402.332023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ms3XXSgPdo |
|---|---|
| Name | 4-Cholesten-3-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.332022655 u |
| 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/h17-19,21-25,28H,6-16H2,1-5H3 |
| InChIKey | FAODDNXUWZRRDC-UHFFFAOYSA-N |
| Molecular Weight | 402.725 g/mol |
| SMILES | C1(CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C)S |