| SpectraBase Compound ID | Am4yGKzwxEx |
|---|---|
| InChI | InChI=1S/C26H45NO3S/c1-16(4-9-24(30)27-12-13-31)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29,31H,4-15H2,1-3H3,(H,27,30)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| InChIKey | YSVJWDNPCAVLIP-VAYUFCLWSA-N |
| Mol Weight | 451.7 g/mol |
| Molecular Formula | C26H45NO3S |
| Exact Mass | 451.312015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bYvpC0oMaD |
|---|---|
| Name | N-(2-THIOETHYL)-3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-AMIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H45NO3S |
| InChI | InChI=1S/C26H45NO3S/c1-16(4-9-24(30)27-12-13-31)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29,31H,4-15H2,1-3H3,(H,27,30)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| InChIKey | YSVJWDNPCAVLIP-VAYUFCLWSA-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 | 451.708 g/mol |
| Sample ID | 70551 |
| Solvent | CDCl3 |