| SpectraBase Compound ID | LSQWvtxZ81z |
|---|---|
| InChI | InChI=1S/2C36H61N3S/c2*1-25(2)12-11-13-26(3)31-18-19-32-30-17-16-27-24-29(20-22-35(27,4)33(30)21-23-36(31,32)5)38-39-34(40)37-28-14-9-7-6-8-10-15-28/h2*16,25-26,28,30-33H,6-15,17-24H2,1-5H3,(H2,37,39,40)/b2*38-29+/t2*26-,30+,31-,32+,33+,35+,36-/m11/s1 |
| InChIKey | BFNXXHIDWWYBLO-NSTWSFEMSA-N |
| Mol Weight | 568.0 g/mol |
| Molecular Formula | C36H61N3S |
| Exact Mass | 567.45862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rVslaTzPfu |
|---|---|
| Name | CHOLEST-5-EN-3-ONE-CYCLOOCTYL-THIOSEMICARBAZONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H61N3S |
| InChI | InChI=1S/2C36H61N3S/c2*1-25(2)12-11-13-26(3)31-18-19-32-30-17-16-27-24-29(20-22-35(27,4)33(30)21-23-36(31,32)5)38-39-34(40)37-28-14-9-7-6-8-10-15-28/h2*16,25-26,28,30-33H,6-15,17-24H2,1-5H3,(H2,37,39,40)/b2*38-29+/t2*26-,30+,31-,32+,33+,35+,36-/m11/s1 |
| InChIKey | BFNXXHIDWWYBLO-NSTWSFEMSA-N |
| Literature Reference Author | A.M.ASIRI,S.A.KHAN |
| Literature Reference Citation | MOLECULES,15,4784(2010) |
| Literature Reference DOI | 10.3390/molecules15074784 |
| Molecular Weight | 567.960 g/mol |
| Sample ID | 71065 |
| Solvent | DMSO-D6 |