| SpectraBase Compound ID | 3siSZbLvTJ3 |
|---|---|
| InChI | InChI=1S/C30H53N3O2S/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-26-24(13-14-28(22,23)5)29(6)15-12-21(34)16-30(29,35)25(26)17-32-33-27(31)36/h17-26,34-35H,7-16H2,1-6H3,(H3,31,33,36)/b32-17+/t19-,20-,21+,22-,23+,24+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | NIBMGURESHRTNT-UUKSXNRYSA-N |
| Mol Weight | 519.8 g/mol |
| Molecular Formula | C30H53N3O2S |
| Exact Mass | 519.385849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IwpXwtkXMf |
|---|---|
| Name | 3-BETA,5-BETA-DIHYDROXYL-6-BETA-THIOSEMICARBAZONE-B-NOR-SITOSTANE |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H53N3O2S |
| InChI | InChI=1S/C30H53N3O2S/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-26-24(13-14-28(22,23)5)29(6)15-12-21(34)16-30(29,35)25(26)17-32-33-27(31)36/h17-26,34-35H,7-16H2,1-6H3,(H3,31,33,36)/b32-17+/t19-,20-,21+,22-,23+,24+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | NIBMGURESHRTNT-UUKSXNRYSA-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 | 519.830 g/mol |
| Sample ID | 70679 |
| Solvent | CDCl3 |