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21BETA-THIOCYANOPREGNA-4,17(20),20-TRIEN-16-ALPHA-OL-3-ONE

View entire compound with spectra: 1 NMR

21BETA-THIOCYANOPREGNA-4,17(20),20-TRIEN-16-ALPHA-OL-3-ONE
SpectraBase Compound ID 8zzXwCVv0d6
InChI InChI=1S/C22H27NO2S/c1-21-8-5-15(24)11-14(21)3-4-16-17(21)6-9-22(2)18(7-10-26-13-23)20(25)12-19(16)22/h10-11,16-17,19-20,25H,3-6,8-9,12H2,1-2H3/t7?,16?,17?,19?,20-,21+,22-/m0/s1
InChIKey GMCQGKZSYHSLCU-NVIGKHMRSA-N
Mol Weight 369.52 g/mol
Molecular Formula C22H27NO2S
Exact Mass 369.17625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fBRLaP8qsi
Name 21BETA-THIOCYANOPREGNA-4,17(20),20-TRIEN-16-ALPHA-OL-3-ONE
Comments ##
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C22H27NO2S
InChI InChI=1S/C22H27NO2S/c1-21-8-5-15(24)11-14(21)3-4-16-17(21)6-9-22(2)18(7-10-26-13-23)20(25)12-19(16)22/h10-11,16-17,19-20,25H,3-6,8-9,12H2,1-2H3/t7?,16?,17?,19?,20-,21+,22-/m0/s1
InChIKey GMCQGKZSYHSLCU-NVIGKHMRSA-N
Instrument Name Bruker AM-300
Literature Reference A.M.TURUPA, A.V.KAMERNITSKY, L'YU DYK KHI, V.S.BOGDANOV (1992) Izv.Akad.NaukSSSR(Russ. Lang.): N11, 2661-2666.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d