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1-[BENZYL-[(E)-2'-BUTENYL-4'-O-DECYL]]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
SpectraBase Compound ID 4B0GN7OoZ7N
InChI InChI=1S/2C48H63O8P/c2*1-2-3-4-5-6-7-8-21-32-50-33-22-23-34-54-57(49,55-38-44-30-19-12-20-31-44)40-46-48(53-37-43-28-17-11-18-29-43)47(52-36-42-26-15-10-16-27-42)45(56-46)39-51-35-41-24-13-9-14-25-41/h2*9-20,22-31,45-48H,2-8,21,32-40H2,1H3/b2*23-22+/t2*45-,46+,47-,48-,57?/m11/s1
InChIKey FTGZDZOIQCFOKE-MLWCIZFSSA-N
Mol Weight 1598.0 g/mol
Molecular Formula C96H126O16P2
Exact Mass 1596.852112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mVBHWKVcK9
Name 1-[BENZYL-[(E)-2'-BUTENYL-4'-O-DECYL]]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
Compound Number 32D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C96H126O16P2
InChI InChI=1S/2C48H63O8P/c2*1-2-3-4-5-6-7-8-21-32-50-33-22-23-34-54-57(49,55-38-44-30-19-12-20-31-44)40-46-48(53-37-43-28-17-11-18-29-43)47(52-36-42-26-15-10-16-27-42)45(56-46)39-51-35-41-24-13-9-14-25-41/h2*9-20,22-31,45-48H,2-8,21,32-40H2,1H3/b2*23-22+/t2*45-,46+,47-,48-,57?/m11/s1
InChIKey FTGZDZOIQCFOKE-MLWCIZFSSA-N
Literature Reference Author C.A.CENTRONE,T.L.LOWARY
Literature Reference Citation J.ORG.CHEM.,67,8862(2002)
Literature Reference DOI 10.1021/jo026247r
Molecular Weight 1597.994 g/mol
Solvent CDCl3
Source File Reference UWVN23952