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1-[BENZYL-(BUTYL-4'-O-OCTYL)]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
SpectraBase Compound ID 5KOiL6xiq2W
InChI InChI=1S/2C46H61O8P/c2*1-2-3-4-5-6-19-30-48-31-20-21-32-52-55(47,53-36-42-28-17-10-18-29-42)38-44-46(51-35-41-26-15-9-16-27-41)45(50-34-40-24-13-8-14-25-40)43(54-44)37-49-33-39-22-11-7-12-23-39/h2*7-18,22-29,43-46H,2-6,19-21,30-38H2,1H3/t2*43-,44+,45-,46-,55?/m11/s1
InChIKey ODIOZURMQMRCKP-KUJXYNEPSA-N
Mol Weight 1545.9 g/mol
Molecular Formula C92H122O16P2
Exact Mass 1544.820812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jg2EcAEo3hb
Name 1-[BENZYL-(BUTYL-4'-O-OCTYL)]-3,4,6-TRI-O-BENZYL-2,5-ANHYDRO-D-GLUCITYL-PHOSPHONATE
Compound Number 33B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C92H122O16P2
InChI InChI=1S/2C46H61O8P/c2*1-2-3-4-5-6-19-30-48-31-20-21-32-52-55(47,53-36-42-28-17-10-18-29-42)38-44-46(51-35-41-26-15-9-16-27-41)45(50-34-40-24-13-8-14-25-40)43(54-44)37-49-33-39-22-11-7-12-23-39/h2*7-18,22-29,43-46H,2-6,19-21,30-38H2,1H3/t2*43-,44+,45-,46-,55?/m11/s1
InChIKey ODIOZURMQMRCKP-KUJXYNEPSA-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 1545.919 g/mol
Solvent CDCl3
Source File Reference UWVN23956