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1-[BENZYL-[(E)-2'-BUTENYL-4'-O-NONYL]]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
SpectraBase Compound ID 6Asxw4vT989
InChI InChI=1S/2C47H61O8P/c2*1-2-3-4-5-6-7-20-31-49-32-21-22-33-53-56(48,54-37-43-29-18-11-19-30-43)39-45-47(52-36-42-27-16-10-17-28-42)46(51-35-41-25-14-9-15-26-41)44(55-45)38-50-34-40-23-12-8-13-24-40/h2*8-19,21-30,44-47H,2-7,20,31-39H2,1H3/b2*22-21+/t2*44-,45+,46-,47-,56?/m11/s1
InChIKey YDBUPURRGXYNID-NNFKAFLYSA-N
Mol Weight 1569.9 g/mol
Molecular Formula C94H122O16P2
Exact Mass 1568.820812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xy0Pg9LwXP
Name 1-[BENZYL-[(E)-2'-BUTENYL-4'-O-NONYL]]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
Compound Number 32C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C94H122O16P2
InChI InChI=1S/2C47H61O8P/c2*1-2-3-4-5-6-7-20-31-49-32-21-22-33-53-56(48,54-37-43-29-18-11-19-30-43)39-45-47(52-36-42-27-16-10-17-28-42)46(51-35-41-25-14-9-15-26-41)44(55-45)38-50-34-40-23-12-8-13-24-40/h2*8-19,21-30,44-47H,2-7,20,31-39H2,1H3/b2*22-21+/t2*44-,45+,46-,47-,56?/m11/s1
InChIKey YDBUPURRGXYNID-NNFKAFLYSA-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 1569.941 g/mol
Solvent CDCl3
Source File Reference UWVN23951