| SpectraBase Compound ID | ASF7jqmihVd |
|---|---|
| InChI | InChI=1S/2C33H55N3S/c2*1-22(2)9-8-10-23(3)28-15-16-29-27-14-13-24-21-26(35-36-31(37)34-25-11-6-7-12-25)17-19-32(24,4)30(27)18-20-33(28,29)5/h2*13,22-23,25,27-30H,6-12,14-21H2,1-5H3,(H2,34,36,37)/b2*35-26+/t2*23-,27+,28-,29+,30+,32+,33-/m11/s1 |
| InChIKey | IKLJMFYMCSBKPM-RRUKPDBLSA-N |
| Mol Weight | 525.9 g/mol |
| Molecular Formula | C33H55N3S |
| Exact Mass | 525.41167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lfOTcKE7bV |
|---|---|
| Name | CHOLEST-5-EN-3-ONE-CYCLOPENTYL-THIOSEMICARBAZONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H55N3S |
| InChI | InChI=1S/2C33H55N3S/c2*1-22(2)9-8-10-23(3)28-15-16-29-27-14-13-24-21-26(35-36-31(37)34-25-11-6-7-12-25)17-19-32(24,4)30(27)18-20-33(28,29)5/h2*13,22-23,25,27-30H,6-12,14-21H2,1-5H3,(H2,34,36,37)/b2*35-26+/t2*23-,27+,28-,29+,30+,32+,33-/m11/s1 |
| InChIKey | IKLJMFYMCSBKPM-RRUKPDBLSA-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 | 525.880 g/mol |
| Sample ID | 71063 |
| Solvent | DMSO-D6 |