| SpectraBase Compound ID | 72KXas1A2GK |
|---|---|
| InChI | InChI=1S/C26H42OS/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(27)28-23)22(19)13-15-25(20,21)4/h12,17-22H,6-11,13-16H2,1-5H3/t18?,19?,20-,21?,22?,25-,26-/m0/s1 |
| InChIKey | SDNRTUUQONFWJZ-WBZAEARUSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C26H42OS |
| Exact Mass | 402.295637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dI7krWeJhK |
|---|---|
| Name | 4-THIA-5-CHOLESTEN-3-ONE |
| Comments | 1.w |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H42OS |
| InChI | InChI=1S/C26H42OS/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(27)28-23)22(19)13-15-25(20,21)4/h12,17-22H,6-11,13-16H2,1-5H3/t18?,19?,20-,21?,22?,25-,26-/m0/s1 |
| InChIKey | SDNRTUUQONFWJZ-WBZAEARUSA-N |
| Instrument Name | Varian XL-200 |
| Literature Reference | A.KASAL (1983) Coll.Czech.Chem.Comm.: v.48, N5, 1489-1498. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |