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N-(2-THIOETHYL)-3,7,12-TRIOXO-5-BETA-CHOLAN-24-AMIDE
SpectraBase Compound ID 1oWMYxLzzge
InChI InChI=1S/C26H39NO4S/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/h15-16,18-20,24,32H,4-14H2,1-3H3,(H,27,31)/t15-,16+,18-,19+,20+,24+,25+,26-/m1/s1
InChIKey NWOJIAUJDCQVFB-PYGYYAGESA-N
Mol Weight 461.7 g/mol
Molecular Formula C26H39NO4S
Exact Mass 461.25998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZPTFeZplTO
Name N-(2-THIOETHYL)-3,7,12-TRIOXO-5-BETA-CHOLAN-24-AMIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39NO4S
InChI InChI=1S/C26H39NO4S/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/h15-16,18-20,24,32H,4-14H2,1-3H3,(H,27,31)/t15-,16+,18-,19+,20+,24+,25+,26-/m1/s1
InChIKey NWOJIAUJDCQVFB-PYGYYAGESA-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 461.660 g/mol
Sample ID 70553
Solvent CDCl3