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(2'-S)-1-D-3,6-DI-O-BENZYL-4,5-BIS-O-[DI-(BENZYLOXY)-PHOSPHORYL]-1,2-O-[2'-[DI-(BENZYLOXY)-PHOSPHORYLOXY]-PROPANE-1',3'-DIYL]-MYO-INOSITOL
SpectraBase Compound ID LVPVjapeDtv
InChI InChI=1S/C65H67O16P3/c66-82(73-43-53-29-13-3-14-30-53,74-44-54-31-15-4-16-32-54)79-59-49-71-60-61(72-50-59)63(70-42-52-27-11-2-12-28-52)65(81-84(68,77-47-57-37-21-7-22-38-57)78-48-58-39-23-8-24-40-58)64(62(60)69-41-51-25-9-1-10-26-51)80-83(67,75-45-55-33-17-5-18-34-55)76-46-56-35-19-6-20-36-56/h1-40,59-65H,41-50H2/t59-,60-,61+,62-,63-,64+,65+/m0/s1
InChIKey IPSSVYMVOZQOJI-SHXKMPHISA-N
Mol Weight 1197.2 g/mol
Molecular Formula C65H67O16P3
Exact Mass 1196.364197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ii2WWLOzdwJ
Name (2'-S)-1-D-3,6-DI-O-BENZYL-4,5-BIS-O-[DI-(BENZYLOXY)-PHOSPHORYL]-1,2-O-[2'-[DI-(BENZYLOXY)-PHOSPHORYLOXY]-PROPANE-1',3'-DIYL]-MYO-INOSITOL
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H67O16P3
InChI InChI=1S/C65H67O16P3/c66-82(73-43-53-29-13-3-14-30-53,74-44-54-31-15-4-16-32-54)79-59-49-71-60-61(72-50-59)63(70-42-52-27-11-2-12-28-52)65(81-84(68,77-47-57-37-21-7-22-38-57)78-48-58-39-23-8-24-40-58)64(62(60)69-41-51-25-9-1-10-26-51)80-83(67,75-45-55-33-17-5-18-34-55)76-46-56-35-19-6-20-36-56/h1-40,59-65H,41-50H2/t59-,60-,61+,62-,63-,64+,65+/m0/s1
InChIKey IPSSVYMVOZQOJI-SHXKMPHISA-N
Literature Reference Author A.M.RILEY,V.CORREA,M.F.MAHON,C.W.TAYLOR,B.V.L.POTTER
Literature Reference Citation J.MED.CHEM.,44,2108(2001)
Literature Reference DOI 10.1021/jm0005499
Molecular Weight 1197.159 g/mol
Sample ID 44549
Solvent CDCl3