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17-ALPHA-CYANO-17-BETA-HYDROXY-3-CYClOETHYLENEDITHIOANDROST-4-ENE
SpectraBase Compound ID GL4okcmSTUI
InChI InChI=1S/C22H31NOS2/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h13,16-18,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21-/m1/s1
InChIKey GEDDEMKIIDKWCS-SJFWLOONSA-N
Mol Weight 389.62 g/mol
Molecular Formula C22H31NOS2
Exact Mass 389.184707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AW4nqxTRbLI
Name 17-ALPHA-CYANO-17-BETA-HYDROXY-3-CYClOETHYLENEDITHIOANDROST-4-ENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NOS2
InChI InChI=1S/C22H31NOS2/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h13,16-18,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21-/m1/s1
InChIKey GEDDEMKIIDKWCS-SJFWLOONSA-N
Literature Reference Author G.M.CABALLERO,E.G.GROS
Literature Reference Citation MAGN.RES.CHEM.,34,162(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199602)34:2<162::aid-omr834>3.0.co;2-u
Molecular Weight 389.614 g/mol
Solvent CDCl3
Source File Reference UWCP2024