| SpectraBase Compound ID | LfKmZ40V9P3 |
|---|---|
| InChI | InChI=1S/C28H47N3OS/c1-17(2)7-6-8-18(3)21-9-10-22-25-20(16-30-31-26(29)33)24-15-19(32)11-13-28(24,5)23(25)12-14-27(21,22)4/h16-19,21-23,25,32H,6-15H2,1-5H3,(H3,29,31,33)/b30-16+/t18-,19+,21-,22+,23+,25+,27-,28-/m1/s1 |
| InChIKey | XMCFCAZXFGHXPT-GIFHRPRUSA-N |
| Mol Weight | 473.8 g/mol |
| Molecular Formula | C28H47N3OS |
| Exact Mass | 473.343984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PQ7gZWavSX |
|---|---|
| Name | 3-BETA-HYDROXY-6-BETA-THIOSEMICARBAZONE-B-NOR-CHOLEST-5-ENE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H47N3OS |
| InChI | InChI=1S/C28H47N3OS/c1-17(2)7-6-8-18(3)21-9-10-22-25-20(16-30-31-26(29)33)24-15-19(32)11-13-28(24,5)23(25)12-14-27(21,22)4/h16-19,21-23,25,32H,6-15H2,1-5H3,(H3,29,31,33)/b30-16+/t18-,19+,21-,22+,23+,25+,27-,28-/m1/s1 |
| InChIKey | XMCFCAZXFGHXPT-GIFHRPRUSA-N |
| Literature Reference Author | C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI |
| Literature Reference Citation | STEROIDS,77,1061(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.05.005 |
| Molecular Weight | 473.761 g/mol |
| Sample ID | 70667 |
| Solvent | CDCl3 |