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1-[BENZYL-[(E)-2'-BUTENYL-4'-O-HEPTYL]]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
SpectraBase Compound ID 8cYqe3FWKtB
InChI InChI=1S/2C45H57O8P/c2*1-2-3-4-5-18-29-47-30-19-20-31-51-54(46,52-35-41-27-16-9-17-28-41)37-43-45(50-34-40-25-14-8-15-26-40)44(49-33-39-23-12-7-13-24-39)42(53-43)36-48-32-38-21-10-6-11-22-38/h2*6-17,19-28,42-45H,2-5,18,29-37H2,1H3/b2*20-19+/t2*42-,43+,44-,45-,54?/m11/s1
InChIKey DPOABICISMFDTA-COBMJYBWSA-N
Mol Weight 1513.8 g/mol
Molecular Formula C90H114O16P2
Exact Mass 1512.758212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dOjnDg7oEW
Name 1-[BENZYL-[(E)-2'-BUTENYL-4'-O-HEPTYL]]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
Compound Number 32 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C90H114O16P2
InChI InChI=1S/2C45H57O8P/c2*1-2-3-4-5-18-29-47-30-19-20-31-51-54(46,52-35-41-27-16-9-17-28-41)37-43-45(50-34-40-25-14-8-15-26-40)44(49-33-39-23-12-7-13-24-39)42(53-43)36-48-32-38-21-10-6-11-22-38/h2*6-17,19-28,42-45H,2-5,18,29-37H2,1H3/b2*20-19+/t2*42-,43+,44-,45-,54?/m11/s1
InChIKey DPOABICISMFDTA-COBMJYBWSA-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 1513.833 g/mol
Solvent CDCl3
Source File Reference UWVN23949