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3,6-DI-O-BENZOYL-MYO-INOSITOL-1,2,4,5-TETRAKIS-DIBENZYLPHOSPHATE
SpectraBase Compound ID BBgWmJov978
InChI InChI=1S/C76H72O20P4/c77-75(67-47-27-9-28-48-67)91-69-71(93-97(79,83-51-59-31-11-1-12-32-59)84-52-60-33-13-2-14-34-60)72(94-98(80,85-53-61-35-15-3-16-36-61)86-54-62-37-17-4-18-38-62)70(92-76(78)68-49-29-10-30-50-68)74(96-100(82,89-57-65-43-23-7-24-44-65)90-58-66-45-25-8-26-46-66)73(69)95-99(81,87-55-63-39-19-5-20-40-63)88-56-64-41-21-6-22-42-64/h1-50,69-74H,51-58H2/t69-,70-,71-,72-,73-,74+/m1/s1
InChIKey WSBKMEGANVAKCO-NQHHJWMJSA-N
Mol Weight 1429.3 g/mol
Molecular Formula C76H72O20P4
Exact Mass 1428.356743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLS9laDGQ1U
Name 3,6-DI-O-BENZOYL-MYO-INOSITOL-1,2,4,5-TETRAKIS-DIBENZYLPHOSPHATE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H72O20P4
InChI InChI=1S/C76H72O20P4/c77-75(67-47-27-9-28-48-67)91-69-71(93-97(79,83-51-59-31-11-1-12-32-59)84-52-60-33-13-2-14-34-60)72(94-98(80,85-53-61-35-15-3-16-36-61)86-54-62-37-17-4-18-38-62)70(92-76(78)68-49-29-10-30-50-68)74(96-100(82,89-57-65-43-23-7-24-44-65)90-58-66-45-25-8-26-46-66)73(69)95-99(81,87-55-63-39-19-5-20-40-63)88-56-64-41-21-6-22-42-64/h1-50,69-74H,51-58H2/t69-,70-,71-,72-,73-,74+/m1/s1
InChIKey WSBKMEGANVAKCO-NQHHJWMJSA-N
Literature Reference Author S.K.CHUNG,Y.U.KWON,J.H.SHIN,Y.T.CHANG,C.LEE,B.G.SHIN,K.C.KIM ,M.J.KIM
Literature Reference Citation J.ORG.CHEM.,67,5626(2002)
Literature Reference DOI 10.1021/jo0257694
Molecular Weight 1429.291 g/mol
Solvent CDCl3
Source File Reference UWVN23519