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3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-BETA-YL-PENTAFLUOROBENZOATE

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3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-BETA-YL-PENTAFLUOROBENZOATE
SpectraBase Compound ID 9A28u8y7Lbg
InChI InChI=1S/C26H31F5O3/c1-25-9-7-13(32)11-12(25)3-4-14-15-5-6-17(26(15,2)10-8-16(14)25)34-24(33)18-19(27)21(29)23(31)22(30)20(18)28/h12-17,32H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,25?,26?/m1/s1
InChIKey KIYRGWRTYRKZER-ADMGNTBHSA-N
Mol Weight 486.52 g/mol
Molecular Formula C26H31F5O3
Exact Mass 486.219336 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DDhPWj9CXy
Name 3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-BETA-YL-PENTAFLUOROBENZOATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31F5O3
InChI InChI=1S/C26H31F5O3/c1-25-9-7-13(32)11-12(25)3-4-14-15-5-6-17(26(15,2)10-8-16(14)25)34-24(33)18-19(27)21(29)23(31)22(30)20(18)28/h12-17,32H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,25?,26?/m1/s1
InChIKey KIYRGWRTYRKZER-ADMGNTBHSA-N
Literature Reference Author I.CERNY,M.BUDESINSKY,V.POUZAR,V.VYKLICKY,B.KRAUSOVA,L.VYKLIC KY
Literature Reference Citation STEROIDS,77,1233(2012)
Literature Reference DOI 10.1016/j.steroids.2012.07.004
Solvent CDCl3
Source File Reference UWLU70710