| SpectraBase Compound ID | FbC3suDjVoE |
|---|---|
| InChI | InChI=1S/C24H37N3O4S/c1-13(28)16-5-6-17-20-18(8-9-22(16,17)3)23(4)10-7-15(31-14(2)29)11-24(23,30)19(20)12-26-27-21(25)32/h12,15-20,30H,5-11H2,1-4H3,(H3,25,27,32)/b26-12+/t15-,16+,17-,18-,19+,20-,22+,23+,24+/m0/s1 |
| InChIKey | OZTFMNMETGSPNE-JUJKTYEDSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C24H37N3O4S |
| Exact Mass | 463.250478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1NEAQuCX6 |
|---|---|
| Name | 3-BETA-ACETOXY-5-BETA-HYDROXYL-6-BETA-THIOSEMICARBAZONE-B-NOR-PREGNANE |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H37N3O4S |
| InChI | InChI=1S/C24H37N3O4S/c1-13(28)16-5-6-17-20-18(8-9-22(16,17)3)23(4)10-7-15(31-14(2)29)11-24(23,30)19(20)12-26-27-21(25)32/h12,15-20,30H,5-11H2,1-4H3,(H3,25,27,32)/b26-12+/t15-,16+,17-,18-,19+,20-,22+,23+,24+/m0/s1 |
| InChIKey | OZTFMNMETGSPNE-JUJKTYEDSA-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 | 463.635 g/mol |
| Sample ID | 70678 |
| Solvent | CDCl3 |