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3-ALPHA-PENTAFLUOROETHYL-3-BETA-HYDROXY-ANDROST-4-EN-17-ONE
SpectraBase Compound ID 7Zovxy2jEjL
InChI InChI=1S/C21H27F5O2/c1-17-9-10-19(28,20(22,23)21(24,25)26)11-12(17)3-4-13-14-5-6-16(27)18(14,2)8-7-15(13)17/h11,13-15,28H,3-10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1
InChIKey PAMMEAVLAHFSLO-HQRJMKCBSA-N
Mol Weight 406.44 g/mol
Molecular Formula C21H27F5O2
Exact Mass 406.193121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XpeKAal0W5
Name 3-ALPHA-PENTAFLUOROETHYL-3-BETA-HYDROXY-ANDROST-4-EN-17-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27F5O2
InChI InChI=1S/C21H27F5O2/c1-17-9-10-19(28,20(22,23)21(24,25)26)11-12(17)3-4-13-14-5-6-16(27)18(14,2)8-7-15(13)17/h11,13-15,28H,3-10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1
InChIKey PAMMEAVLAHFSLO-HQRJMKCBSA-N
Literature Reference Author J.R.WILLIAMS,T.J.SHEA
Literature Reference Citation STEROIDS,61,50(1996)
Literature Reference DOI 10.1016/0039-128x(95)00176-q
Molecular Weight 406.436 g/mol
Sample ID 968628
Solvent CDCl3