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

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2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3,5-DITHIOCARBONIC-ACID-PHENYLESTER
SpectraBase Compound ID EA6mU63AW8
InChI InChI=1S/C53H47O11PS2/c54-65(62-44-32-18-6-19-33-44,63-45-34-20-7-21-35-45)64-51-47(56-37-40-24-10-2-11-25-40)49(60-52(66)58-42-28-14-4-15-29-42)46(55-36-39-22-8-1-9-23-39)50(48(51)57-38-41-26-12-3-13-27-41)61-53(67)59-43-30-16-5-17-31-43/h1-35,46-51H,36-38H2/t46-,47-,48-,49-,50+,51-/m1/s1
InChIKey CIMQSFNUVKIXPG-PMMVLBEOSA-N
Mol Weight 955.0 g/mol
Molecular Formula C53H47O11PS2
Exact Mass 954.229742 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23wI0rrXPEH
Name 2,4,6-TRI-O-BENZYL-D-MYO-INOSITOL-1-DIPHENYLPHOSPHATE-3,5-DITHIOCARBONIC-ACID-PHENYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H47O11PS2
InChI InChI=1S/C53H47O11PS2/c54-65(62-44-32-18-6-19-33-44,63-45-34-20-7-21-35-45)64-51-47(56-37-40-24-10-2-11-25-40)49(60-52(66)58-42-28-14-4-15-29-42)46(55-36-39-22-8-1-9-23-39)50(48(51)57-38-41-26-12-3-13-27-41)61-53(67)59-43-30-16-5-17-31-43/h1-35,46-51H,36-38H2/t46-,47-,48-,49-,50+,51-/m1/s1
InChIKey CIMQSFNUVKIXPG-PMMVLBEOSA-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 UWLU34841