| SpectraBase Compound ID | E7B3GvTa8Mw |
|---|---|
| InChI | InChI=1S/C26H45NO3S/c1-16(4-7-23(30)27-12-13-31)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29,31H,4-15H2,1-3H3,(H,27,30)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 |
| InChIKey | RAERMPYSSQSNPH-LBSADWJPSA-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 | 2hDcgnkshbR |
|---|---|
| Name | N-(2-THIOETHYL)-3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLAN-24-AMIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H45NO3S |
| InChI | InChI=1S/C26H45NO3S/c1-16(4-7-23(30)27-12-13-31)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29,31H,4-15H2,1-3H3,(H,27,30)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 |
| InChIKey | RAERMPYSSQSNPH-LBSADWJPSA-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 | 70550 |
| Solvent | CDCl3 |