John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9rJV6BsgvSg SpectraBase Spectrum ID=2bumXRfeQ7t

(accessed ).
1L-1,2,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL_3-HYDROGEN-PHOSPHONATE
SpectraBase Compound ID 9rJV6BsgvSg
InChI InChI=1S/C41H43O8P/c42-50(43)49-41-39(47-29-34-22-12-4-13-23-34)37(45-27-32-18-8-2-9-19-32)36(44-26-31-16-6-1-7-17-31)38(46-28-33-20-10-3-11-21-33)40(41)48-30-35-24-14-5-15-25-35/h1-25,36-41,50H,26-30H2,(H,42,43)/t36-,37-,38+,39-,40-,41-/m1/s1
InChIKey SBWSTNFPDQKBBS-NIIOQGPHSA-N
Mol Weight 693.8 g/mol
Molecular Formula C41H42O8P
Exact Mass 693.261732 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bumXRfeQ7t
Name 1L-1,2,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL_3-HYDROGEN-PHOSPHONATE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H41O8P
InChI InChI=1S/C41H43O8P/c42-50(43)49-41-39(47-29-34-22-12-4-13-23-34)37(45-27-32-18-8-2-9-19-32)36(44-26-31-16-6-1-7-17-31)38(46-28-33-20-10-3-11-21-33)40(41)48-30-35-24-14-5-15-25-35/h1-25,36-41,50H,26-30H2,(H,42,43)/t36-,37-,38+,39-,40-,41-/m1/s1
InChIKey SBWSTNFPDQKBBS-NIIOQGPHSA-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
Solvent CDCl3:CD3OD=9:1
Source File Reference UWMZ4769
SpectraBase Batch ID G0GHzq4dGri