| SpectraBase Compound ID | EF5ZD2ziAHS |
|---|---|
| InChI | InChI=1S/C26H45NO4S/c1-15(4-7-23(31)27-10-11-32)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30,32H,4-14H2,1-3H3,(H,27,31)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
| InChIKey | IXGHNDPDOKYUBL-HZAMXZRMSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C26H45NO4S |
| Exact Mass | 467.30693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzyNIKCeTCb |
|---|---|
| Name | N-(2-THIOETHYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-AMIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H45NO4S |
| InChI | InChI=1S/C26H45NO4S/c1-15(4-7-23(31)27-10-11-32)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30,32H,4-14H2,1-3H3,(H,27,31)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
| InChIKey | IXGHNDPDOKYUBL-HZAMXZRMSA-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 | 467.708 g/mol |
| Sample ID | 70552 |
| Solvent | CDCl3 |