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(2S,3S,4R)-3,4-DI-O-BENZYL-2-DOCOSANOYLAMINO-1-O-(3,4,6-TRI-O-BENZYL-2-DEOXY-2-FLUORO-ALPHA-D-GALACTOPYRANOSYL)-1,3,4-OCTADECANETRIOL
SpectraBase Compound ID HvurucDwIXu
InChI InChI=1S/C81H120FNO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-48-60-76(84)83-73(78(87-63-70-53-41-34-42-54-70)74(86-62-69-51-39-33-40-52-69)59-47-30-28-26-24-16-14-12-10-8-6-4-2)66-90-81-77(82)80(89-65-72-57-45-36-46-58-72)79(88-64-71-55-43-35-44-56-71)75(91-81)67-85-61-68-49-37-32-38-50-68/h32-46,49-58,73-75,77-81H,3-31,47-48,59-67H2,1-2H3,(H,83,84)/t73-,74-,75-,77-,78-,79+,80-,81+/m1/s1
InChIKey HONQWGLWDOYILG-HNHLDOANSA-N
Mol Weight 1254.8 g/mol
Molecular Formula C81H120FNO8
Exact Mass 1253.899798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tBziisIrTg
Name (2S,3S,4R)-3,4-DI-O-BENZYL-2-DOCOSANOYLAMINO-1-O-(3,4,6-TRI-O-BENZYL-2-DEOXY-2-FLUORO-ALPHA-D-GALACTOPYRANOSYL)-1,3,4-OCTADECANETRIOL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C81H120FNO8
InChI InChI=1S/C81H120FNO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-48-60-76(84)83-73(78(87-63-70-53-41-34-42-54-70)74(86-62-69-51-39-33-40-52-69)59-47-30-28-26-24-16-14-12-10-8-6-4-2)66-90-81-77(82)80(89-65-72-57-45-36-46-58-72)79(88-64-71-55-43-35-44-56-71)75(91-81)67-85-61-68-49-37-32-38-50-68/h32-46,49-58,73-75,77-81H,3-31,47-48,59-67H2,1-2H3,(H,83,84)/t73-,74-,75-,77-,78-,79+,80-,81+/m1/s1
InChIKey HONQWGLWDOYILG-HNHLDOANSA-N
Literature Reference Author L.BARBIERI,V.COSTANTINO,E.FATTORUSSO,A.MANGONI,N.BASILICO,M. MONDANI,D.TARAMELLI
Literature Reference Citation EUR.J.ORG.CHEM.,3279(2005)
Molecular Weight 1254.844 g/mol
Sample ID 30050
Solvent CDCl3