| SpectraBase Compound ID | AxI2sj5PjF0 |
|---|---|
| InChI | InChI=1S/2C34H57N3S.4ClH.2Pd/c2*1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(36-37-32(38)35-26-12-7-6-8-13-26)18-20-33(25,4)31(28)19-21-34(29,30)5;;;;;;/h2*14,23-24,26,28-31H,6-13,15-22H2,1-5H3,(H2,35,37,38);4*1H;;/q;;;;;;2*+2/p-4/t2*24-,28+,29-,30+,31+,33+,34-;;;;;;/m11....../s1 |
| InChIKey | XMJDYDSBSMDEJX-RQAQJPITSA-J |
| Mol Weight | 717.2 g/mol |
| Molecular Formula | C34H57Cl2N3PdS |
| Exact Mass | 715.268505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZxZnkwcigo |
|---|---|
| Name | DICHLORO-(CHOLEST-5-EN-3-ONE-CYCLOHEXYL-THIOSEMICARBAZONE)-PALLADIUM-(II) |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H57Cl2N3PdS |
| InChI | InChI=1S/2C34H57N3S.4ClH.2Pd/c2*1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(36-37-32(38)35-26-12-7-6-8-13-26)18-20-33(25,4)31(28)19-21-34(29,30)5;;;;;;/h2*14,23-24,26,28-31H,6-13,15-22H2,1-5H3,(H2,35,37,38);4*1H;;/q;;;;;;2*+2/p-4/t2*24-,28+,29-,30+,31+,33+,34-;;;;;;/m11....../s1 |
| InChIKey | XMJDYDSBSMDEJX-RQAQJPITSA-J |
| Literature Reference Author | A.M.ASIRI,S.A.KHAN |
| Literature Reference Citation | MOLECULES,15,4784(2010) |
| Literature Reference DOI | 10.3390/molecules15074784 |
| Molecular Weight | 717.233 g/mol |
| Sample ID | 71067 |
| Solvent | DMSO-D6 |