| SpectraBase Compound ID | G5jmQgaaH3y |
|---|---|
| InChI | InChI=1S/C26H45NO2S/c1-17(4-9-24(29)27-14-15-30)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28,30H,4-16H2,1-3H3,(H,27,29)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | ZFHNWASTILQYRK-GBURMNQMSA-N |
| Mol Weight | 435.7 g/mol |
| Molecular Formula | C26H45NO2S |
| Exact Mass | 435.317101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AyGofVj1ES3 |
|---|---|
| Name | N-(2-THIOETHYL)-3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-AMIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H45NO2S |
| InChI | InChI=1S/C26H45NO2S/c1-17(4-9-24(29)27-14-15-30)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28,30H,4-16H2,1-3H3,(H,27,29)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | ZFHNWASTILQYRK-GBURMNQMSA-N |
| Literature Reference Author | V.NOPONEN,H.BELT,M.LAHTINEN,A.VALKONEN,H.SALO,J.ULRICHOVA,A. GALANDAKOVA,E.SIEVAE |
| Literature Reference Citation | STEROIDS,77,193(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2011.11.006 |
| Molecular Weight | 435.709 g/mol |
| Sample ID | 70548 |
| Solvent | CDCl3 |