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2,4,5-TRI-O-ACETYL-3,6-BIS-O-(DI-O-BENZYLPHOSPHO)-D-MYO-INOSITOL

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2,4,5-TRI-O-ACETYL-3,6-BIS-O-(DI-O-BENZYLPHOSPHO)-D-MYO-INOSITOL
SpectraBase Compound ID 49xB2ZX3t8V
InChI InChI=1S/C40H44O15P2/c1-28(41)51-36-35(44)37(54-56(45,47-24-31-16-8-4-9-17-31)48-25-32-18-10-5-11-19-32)38(52-29(2)42)39(53-30(3)43)40(36)55-57(46,49-26-33-20-12-6-13-21-33)50-27-34-22-14-7-15-23-34/h4-23,35-40,44H,24-27H2,1-3H3/t35-,36+,37-,38+,39-,40-/m1/s1
InChIKey ZWUCTYGLNWXRJQ-NPIRNCGKSA-N
Mol Weight 826.7 g/mol
Molecular Formula C40H44O15P2
Exact Mass 826.215545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44mRbmrTLZl
Name 2,4,5-TRI-O-ACETYL-3,6-BIS-O-(DI-O-BENZYLPHOSPHO)-D-MYO-INOSITOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44O15P2
InChI InChI=1S/C40H44O15P2/c1-28(41)51-36-35(44)37(54-56(45,47-24-31-16-8-4-9-17-31)48-25-32-18-10-5-11-19-32)38(52-29(2)42)39(53-30(3)43)40(36)55-57(46,49-26-33-20-12-6-13-21-33)50-27-34-22-14-7-15-23-34/h4-23,35-40,44H,24-27H2,1-3H3/t35-,36+,37-,38+,39-,40-/m1/s1
InChIKey ZWUCTYGLNWXRJQ-NPIRNCGKSA-N
Literature Reference Author M.A.L.PODESCHWA,O.PLETTENBURG,H.J.ALTENBACH
Literature Reference Citation EUR.J.ORG.CHEM.,3101(2005)
Molecular Weight 826.728 g/mol
Sample ID 30001
Solvent CDCl3