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METHYL_2,3-DI-O-BENZYL-5-(1D-1,2,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL_3-PHOSPHATE)-BETA-D-ARABINOFURANOSIDE
SpectraBase Compound ID G3E8P4g8mxk
InChI InChI=1S/C61H65O13P/c1-64-61-60(71-43-51-35-21-8-22-36-51)53(65-37-45-23-9-2-10-24-45)52(73-61)44-72-75(62,63)74-59-57(69-41-49-31-17-6-18-32-49)55(67-39-47-27-13-4-14-28-47)54(66-38-46-25-11-3-12-26-46)56(68-40-48-29-15-5-16-30-48)58(59)70-42-50-33-19-7-20-34-50/h2-36,52-61H,37-44H2,1H3,(H,62,63)/t52-,53-,54-,55-,56+,57+,58-,59-,60+,61-/m0/s1
InChIKey QNKNEGHOYOOWSO-KZCUJPLPSA-N
Mol Weight 1037.2 g/mol
Molecular Formula C61H65O13P
Exact Mass 1036.416279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4ekWJ6vyq2
Name METHYL_2,3-DI-O-BENZYL-5-(1D-1,2,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL_3-PHOSPHATE)-BETA-D-ARABINOFURANOSIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H64O13P
InChI InChI=1S/C61H65O13P/c1-64-61-60(71-43-51-35-21-8-22-36-51)53(65-37-45-23-9-2-10-24-45)52(73-61)44-72-75(62,63)74-59-57(69-41-49-31-17-6-18-32-49)55(67-39-47-27-13-4-14-28-47)54(66-38-46-25-11-3-12-26-46)56(68-40-48-29-15-5-16-30-48)58(59)70-42-50-33-19-7-20-34-50/h2-36,52-61H,37-44H2,1H3,(H,62,63)/t52-,53-,54-,55-,56+,57+,58-,59-,60+,61-/m0/s1
InChIKey QNKNEGHOYOOWSO-KZCUJPLPSA-N
Literature Reference Author J.DESIRE,J.PRANDI
Literature Reference Citation CARBOHYDR.RES.,317,110(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00078-6
Molecular Weight 1036.145 g/mol
Solvent CDCl3:CD3OD=9:1
Source File Reference UWMZ4766