| SpectraBase Compound ID | I0gdF4KEe7T |
|---|---|
| InChI | InChI=1S/C28H45N3S/c1-18(2)9-8-10-19(3)21-12-13-23-25-20(17-30-31-26(29)32)22-11-6-7-15-27(22,4)24(25)14-16-28(21,23)5/h6,11,17-19,21,23-25H,7-10,12-16H2,1-5H3,(H3,29,31,32)/b30-17+/t19-,21-,23+,24+,25+,27+,28-/m1/s1 |
| InChIKey | UURNMUFWRASQEZ-OJUXPZOZSA-N |
| Mol Weight | 455.7 g/mol |
| Molecular Formula | C28H45N3S |
| Exact Mass | 455.33342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6t2BJbzO4mU |
|---|---|
| Name | 6-BETA-THIOSEMICARBAZONE-B-NOR-CHOLEST-3,5-DIENE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H45N3S |
| InChI | InChI=1S/C28H45N3S/c1-18(2)9-8-10-19(3)21-12-13-23-25-20(17-30-31-26(29)32)22-11-6-7-15-27(22,4)24(25)14-16-28(21,23)5/h6,11,17-19,21,23-25H,7-10,12-16H2,1-5H3,(H3,29,31,32)/b30-17+/t19-,21-,23+,24+,25+,27+,28-/m1/s1 |
| InChIKey | UURNMUFWRASQEZ-OJUXPZOZSA-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 | 455.745 g/mol |
| Sample ID | 70669 |
| Solvent | CDCl3 |