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(+/-)-2,4,6-TRI-O-BENZYL-MYO-INOSITOL-3,5-DIPHOSPHATE

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(+/-)-2,4,6-TRI-O-BENZYL-MYO-INOSITOL-3,5-DIPHOSPHATE
SpectraBase Compound ID DfYShTCQgFR
InChI InChI=1S/C51H48O12P2/c52-46-47(55-36-39-22-8-1-9-23-39)50(62-64(53,58-42-28-14-4-15-29-42)59-43-30-16-5-17-31-43)49(57-38-41-26-12-3-13-27-41)51(48(46)56-37-40-24-10-2-11-25-40)63-65(54,60-44-32-18-6-19-33-44)61-45-34-20-7-21-35-45/h1-35,46-52H,36-38H2/t46-,47-,48-,49-,50+,51-/m1/s1
InChIKey JLDGQSVXCZUEKE-PMMVLBEOSA-N
Mol Weight 914.9 g/mol
Molecular Formula C51H48O12P2
Exact Mass 914.262101 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOm0NMGYsw0
Name (+/-)-2,4,6-TRI-O-BENZYL-MYO-INOSITOL-3,5-DIPHOSPHATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H48O12P2
InChI InChI=1S/C51H48O12P2/c52-46-47(55-36-39-22-8-1-9-23-39)50(62-64(53,58-42-28-14-4-15-29-42)59-43-30-16-5-17-31-43)49(57-38-41-26-12-3-13-27-41)51(48(46)56-37-40-24-10-2-11-25-40)63-65(54,60-44-32-18-6-19-33-44)61-45-34-20-7-21-35-45/h1-35,46-52H,36-38H2/t46-,47-,48-,49-,50+,51-/m1/s1
InChIKey JLDGQSVXCZUEKE-PMMVLBEOSA-N
Literature Reference Author B.R.SCULIMBRENE,A.J.MORGAN,S.J.MILLER
Literature Reference Citation J.AM.CHEM.SOC.,124,11653(2002)
Literature Reference DOI 10.1021/ja027402m
Solvent CDCl3
Source File Reference UWLU48514