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(10Z)-19-FLUORO-1-ALPHA,25-DIHYDROXY-VITAMIN-D3-1,3-DI-TERT.-BUTYLDIPHENYLSILYLETHER
SpectraBase Compound ID HyPCLuYTHQh
InChI InChI=1S/C59H79FO3Si2/c1-44(25-23-39-58(8,9)61)53-37-38-54-45(26-24-40-59(53,54)10)35-36-46-41-47(62-64(56(2,3)4,48-27-15-11-16-28-48)49-29-17-12-18-30-49)42-55(52(46)43-60)63-65(57(5,6)7,50-31-19-13-20-32-50)51-33-21-14-22-34-51/h11-22,27-36,43-44,47,53-55,61H,23-26,37-42H2,1-10H3/b45-35+,46-36-,52-43-/t44-,47+,53-,54?,55+,59?/m0/s1
InChIKey YDGGIIZSFFQNSW-GWDVARRUSA-N
Mol Weight 911.4 g/mol
Molecular Formula C59H79FO3Si2
Exact Mass 910.555178 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7G6oh54uHgL
Name (10Z)-19-FLUORO-1-ALPHA,25-DIHYDROXY-VITAMIN-D3-1,3-DI-TERT.-BUTYLDIPHENYLSILYLETHER
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H79FO3Si2
InChI InChI=1S/C59H79FO3Si2/c1-44(25-23-39-58(8,9)61)53-37-38-54-45(26-24-40-59(53,54)10)35-36-46-41-47(62-64(56(2,3)4,48-27-15-11-16-28-48)49-29-17-12-18-30-49)42-55(52(46)43-60)63-65(57(5,6)7,50-31-19-13-20-32-50)51-33-21-14-22-34-51/h11-22,27-36,43-44,47,53-55,61H,23-26,37-42H2,1-10H3/b45-35+,46-36-,52-43-/t44-,47+,53-,54?,55+,59?/m0/s1
InChIKey YDGGIIZSFFQNSW-GWDVARRUSA-N
Literature Reference Author M.SHIMIZU,A.OHNO,S.YAMADA
Literature Reference Citation CHEM.PHARM.BULL.,49,312(2001)
Literature Reference DOI 10.1248/cpb.49.312
Solvent CDCl3
Source File Reference UWVN28985