| SpectraBase Compound ID | 9fCsJ8nBAFp |
|---|---|
| InChI | InChI=1S/C30H51N3O3S/c1-18(2)8-7-9-19(3)22-10-11-23-26-24(13-14-28(22,23)5)29(6)15-12-21(36-20(4)34)16-30(29,35)25(26)17-32-33-27(31)37/h17-19,21-26,35H,7-16H2,1-6H3,(H3,31,33,37)/b32-17+/t19-,21+,22-,23+,24+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | GJDUCPXKRCEJSC-PAFGRGRLSA-N |
| Mol Weight | 533.8 g/mol |
| Molecular Formula | C30H51N3O3S |
| Exact Mass | 533.365114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkKBmQHRjqZ |
|---|---|
| Name | 3-BETA-ACETOXY-5-BETA-HYDROXY-6-BETA-THIOSEMICARBAZONE-B-NOR-CHOLESTANE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H51N3O3S |
| InChI | InChI=1S/C30H51N3O3S/c1-18(2)8-7-9-19(3)22-10-11-23-26-24(13-14-28(22,23)5)29(6)15-12-21(36-20(4)34)16-30(29,35)25(26)17-32-33-27(31)37/h17-19,21-26,35H,7-16H2,1-6H3,(H3,31,33,37)/b32-17+/t19-,21+,22-,23+,24+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | GJDUCPXKRCEJSC-PAFGRGRLSA-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 | 533.813 g/mol |
| Sample ID | 70663 |
| Solvent | CDCl3 |