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1D-o-2,3,6-o-Tris-(methoxymethylene)-myo-inositol-4,5-bis-(dibenzylphosphate)

View entire compound with spectra: 2 NMR

1D-o-2,3,6-o-Tris-(methoxymethylene)-myo-inositol-4,5-bis-(dibenzylphosphate)
SpectraBase Compound ID aDVwm8rz7P
InChI InChI=1S/C40H50O15P2/c1-44-28-47-36-35(41)37(48-29-45-2)39(54-56(42,50-24-31-16-8-4-9-17-31)51-25-32-18-10-5-11-19-32)40(38(36)49-30-46-3)55-57(43,52-26-33-20-12-6-13-21-33)53-27-34-22-14-7-15-23-34/h4-23,35-41H,24-30H2,1-3H3/t35-,36+,37+,38+,39-,40-/m1/s1
InChIKey XWZPFQKYRRJSAL-AABJGKTFSA-N
Mol Weight 832.8 g/mol
Molecular Formula C40H50O15P2
Exact Mass 832.262495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mr8cjXSFfM
Name 1D-o-2,3,6-o-Tris-(methoxymethylene)-myo-inositol-4,5-bis-(dibenzylphosphate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 832.262494891 u
Formula C40H50O15P2
InChI InChI=1S/C40H50O15P2/c1-44-28-47-36-35(41)37(48-29-45-2)39(54-56(42,50-24-31-16-8-4-9-17-31)51-25-32-18-10-5-11-19-32)40(38(36)49-30-46-3)55-57(43,52-26-33-20-12-6-13-21-33)53-27-34-22-14-7-15-23-34/h4-23,35-41H,24-30H2,1-3H3/t35-,36+,37+,38+,39-,40-/m1/s1
InChIKey XWZPFQKYRRJSAL-AABJGKTFSA-N
Molecular Weight 832.773 g/mol
SMILES [C@]1(O)([C@@]([C@@]([C@]([C@@]([C@]1(OCOC)[H])(OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])(OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])(OCOC)[H])(OCOC)[H])[H]