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5-O-ACETATE-2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3-O-THIOCARBONIC-ACID-PHENYLESTER

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5-O-ACETATE-2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3-O-THIOCARBONIC-ACID-PHENYLESTER
SpectraBase Compound ID 9q9N2ZgRyr
InChI InChI=1S/C48H45O11PS/c1-35(49)54-45-42(51-32-36-20-8-2-9-21-36)46(56-48(61)55-39-26-14-5-15-27-39)44(53-34-38-24-12-4-13-25-38)47(43(45)52-33-37-22-10-3-11-23-37)59-60(50,57-40-28-16-6-17-29-40)58-41-30-18-7-19-31-41/h2-31,42-47H,32-34H2,1H3/t42-,43+,44+,45-,46+,47-/m0/s1
InChIKey OAEAZQDSTPONDK-JTPVPRNGSA-N
Mol Weight 860.9 g/mol
Molecular Formula C48H45O11PS
Exact Mass 860.24202 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgNy34l9Qme
Name 5-O-ACETATE-2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3-O-THIOCARBONIC-ACID-PHENYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H45O11PS
InChI InChI=1S/C48H45O11PS/c1-35(49)54-45-42(51-32-36-20-8-2-9-21-36)46(56-48(61)55-39-26-14-5-15-27-39)44(53-34-38-24-12-4-13-25-38)47(43(45)52-33-37-22-10-3-11-23-37)59-60(50,57-40-28-16-6-17-29-40)58-41-30-18-7-19-31-41/h2-31,42-47H,32-34H2,1H3/t42-,43+,44+,45-,46+,47-/m0/s1
InChIKey OAEAZQDSTPONDK-JTPVPRNGSA-N
Literature Reference Author A.J.MORGAN,Y.K.WANG,M.F.ROBERTS,S.J.MILLER
Literature Reference Citation J.AM.CHEM.SOC.,126,15370(2004)
Literature Reference DOI 10.1021/ja047360x
Solvent CDCl3
Source File Reference UWLU34838