SpectraBase Compound ID | 8C6ux6fK4uM |
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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-BJLOMENOSA-N |
Mol Weight | 451.7 g/mol |
Molecular Formula | C26H45NO3S |
Exact Mass | 451.312015 g/mol |
SpectraBase Spectrum ID | 3ika8KMW6la |
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Name | N-(2-THIOETHYL)-3-ALPHA,7-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-AMIDE |
Compound Number | 2 |
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-BJLOMENOSA-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 | 70549 |
Solvent | CDCl3 |