| SpectraBase Compound ID | HPaYEXDvJoQ |
|---|---|
| InChI | InChI=1S/C27H44S/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/h17-19,22-25H,6-16H2,1-5H3/t19?,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | IZJHHIZQENATIT-SHLKSLFASA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C27H44S |
| Exact Mass | 400.316373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CSlU7uB1OF |
|---|---|
| Name | 3-THIOXO-CHOLEST-4-ENE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44S |
| InChI | InChI=1S/C27H44S/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/h17-19,22-25H,6-16H2,1-5H3/t19?,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | IZJHHIZQENATIT-SHLKSLFASA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 400.706 g/mol |
| Sample ID | 70902 |
| Solvent | C6D6 |