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(2S,3R,4E)-1-[(TERT.-BUTYL)-DIPHENYLSILYLOXY]-16-METHYL-2-(21-METHYLDOCOSANAMIDO)-HEXADEC-4-EN-3-YL-(R)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOATE
SpectraBase Compound ID F3JvnJOowUx
InChI InChI=1S/C67H106F3NO5Si/c1-56(2)45-35-28-24-20-16-14-12-10-9-11-13-15-17-23-27-31-44-54-63(72)71-61(55-75-77(65(5,6)7,59-49-39-33-40-50-59)60-51-41-34-42-52-60)62(53-43-30-26-22-19-18-21-25-29-36-46-57(3)4)76-64(73)66(74-8,67(68,69)70)58-47-37-32-38-48-58/h32-34,37-43,47-53,56-57,61-62H,9-31,35-36,44-46,54-55H2,1-8H3,(H,71,72)/b53-43+/t61-,62?,66+/m0/s1
InChIKey WCBRINALRMNNAB-QLNQXWADSA-N
Mol Weight 1090.7 g/mol
Molecular Formula C67H106F3NO5Si
Exact Mass 1089.779237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60632VJBizq
Name (2S,3R,4E)-1-[(TERT.-BUTYL)-DIPHENYLSILYLOXY]-16-METHYL-2-(21-METHYLDOCOSANAMIDO)-HEXADEC-4-EN-3-YL-(R)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H106F3NO5Si
InChI InChI=1S/C67H106F3NO5Si/c1-56(2)45-35-28-24-20-16-14-12-10-9-11-13-15-17-23-27-31-44-54-63(72)71-61(55-75-77(65(5,6)7,59-49-39-33-40-50-59)60-51-41-34-42-52-60)62(53-43-30-26-22-19-18-21-25-29-36-46-57(3)4)76-64(73)66(74-8,67(68,69)70)58-47-37-32-38-48-58/h32-34,37-43,47-53,56-57,61-62H,9-31,35-36,44-46,54-55H2,1-8H3,(H,71,72)/b53-43+/t61-,62?,66+/m0/s1
InChIKey WCBRINALRMNNAB-QLNQXWADSA-N
Literature Reference Author I.MANCINI,G.GUELLA,C.DEBITUS,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,77,51(1994)
Literature Reference DOI 10.1002/hlca.19940770108
Molecular Weight 1090.663 g/mol
Solvent CDCl3
Source File Reference UWRK1966