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(10Z/E)-19-Fluoro-1.alpha.,25-dihydroxyvitamin D3 1,3-Di-tert-butyldiphenylsilyl Ether
SpectraBase Compound ID JzeX2nPKb7T
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-/m1/s1
InChIKey YDGGIIZSFFQNSW-MQZPGOOPSA-N
Mol Weight 911.4 g/mol
Molecular Formula C59H79FO3Si2
Exact Mass 910.555178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTNlHciqMNH
Name (10Z/E)-19-Fluoro-1.alpha.,25-dihydroxyvitamin D3 1,3-Di-tert-butyldiphenylsilyl Ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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-/m1/s1
InChIKey YDGGIIZSFFQNSW-MQZPGOOPSA-N
Molecular Weight 911.446 g/mol
SMILES OC(CCC[C@]([C@@]1([C@@]2(C(\C(=C\C=C\3\C([C@](O[Si](C(C)(C)C)(c4ccccc4)c4ccccc4)(C[C@@](O[Si](C(C)(C)C)(c4ccccc4)c4ccccc4)(C3)[H])[H])=C\F)CCC2)CC1)C)[H])(C)[H])(C)C
SPLASH splash10-03g3-0000030096-361185dd905b2f594bcd
Source of Spectrum E2-49-316-21
Synonyms (6R)-6-[(1R,4E,7aR)-4-{2-[(1E,2Z,3R,5S)-3,5-bis[(tert-butyldiphenylsilyl)oxy]-2-(fluoromethylidene)cyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptan-2-ol
Wiley ID 1555638