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N-(2-THIOETHYL)-3-ALPHA,7-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-AMIDE
SpectraBase Compound ID 8C6ux6fK4uM
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ika8KMW6la
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