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2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3-O-THIOCARBONIC-ACID-PHENYLESTER
SpectraBase Compound ID kheF1FPB3u
InChI InChI=1S/C46H43O10PS/c47-40-41(49-31-34-19-7-1-8-20-34)44(53-46(58)52-37-25-13-4-14-26-37)43(51-33-36-23-11-3-12-24-36)45(42(40)50-32-35-21-9-2-10-22-35)56-57(48,54-38-27-15-5-16-28-38)55-39-29-17-6-18-30-39/h1-30,40-45,47H,31-33H2/t40-,41-,42+,43+,44+,45-/m0/s1
InChIKey ZNWXZOSTNOOKFR-LDMTUVHKSA-N
Mol Weight 818.9 g/mol
Molecular Formula C46H43O10PS
Exact Mass 818.231456 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjvHrewq9gR
Name 2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3-O-THIOCARBONIC-ACID-PHENYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H43O10PS
InChI InChI=1S/C46H43O10PS/c47-40-41(49-31-34-19-7-1-8-20-34)44(53-46(58)52-37-25-13-4-14-26-37)43(51-33-36-23-11-3-12-24-36)45(42(40)50-32-35-21-9-2-10-22-35)56-57(48,54-38-27-15-5-16-28-38)55-39-29-17-6-18-30-39/h1-30,40-45,47H,31-33H2/t40-,41-,42+,43+,44+,45-/m0/s1
InChIKey ZNWXZOSTNOOKFR-LDMTUVHKSA-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 UWLU34837