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dl-(1,3,5/2,4,6)-1,3-di-o-Benzyl-5,7-o-(benzyloxyphosphoryl)-6-(hydroxymethyl)-2,4-bis-o-(para-methoxybenzyl)-cyclohexane-1,2,3,4,5-pentol

View entire compound with spectra: 3 NMR

dl-(1,3,5/2,4,6)-1,3-di-o-Benzyl-5,7-o-(benzyloxyphosphoryl)-6-(hydroxymethyl)-2,4-bis-o-(para-methoxybenzyl)-cyclohexane-1,2,3,4,5-pentol
SpectraBase Compound ID DBAeE9E8X3Y
InChI InChI=1S/C44H47O10P/c1-46-37-22-18-35(19-23-37)28-49-42-40(48-26-32-12-6-3-7-13-32)39-31-53-55(45,52-30-34-16-10-5-11-17-34)54-41(39)43(44(42)51-27-33-14-8-4-9-15-33)50-29-36-20-24-38(47-2)25-21-36/h3-25,39-44H,26-31H2,1-2H3/t39-,40-,41+,42+,43-,44-,55?/m1/s1
InChIKey DDEGUKRTKBJLBB-OTPUMFHESA-N
Mol Weight 766.8 g/mol
Molecular Formula C44H47O10P
Exact Mass 766.290685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ijCKkEyr43
Name dl-(1,3,5/2,4,6)-1,3-di-o-Benzyl-5,7-o-(benzyloxyphosphoryl)-6-(hydroxymethyl)-2,4-bis-o-(para-methoxybenzyl)-cyclohexane-1,2,3,4,5-pentol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 766.290684701 u
Formula C44H47O10P
InChI InChI=1S/C44H47O10P/c1-46-37-22-18-35(19-23-37)28-49-42-40(48-26-32-12-6-3-7-13-32)39-31-53-55(45,52-30-34-16-10-5-11-17-34)54-41(39)43(44(42)51-27-33-14-8-4-9-15-33)50-29-36-20-24-38(47-2)25-21-36/h3-25,39-44H,26-31H2,1-2H3/t39-,40-,41+,42+,43-,44-,55?/m1/s1
InChIKey DDEGUKRTKBJLBB-OTPUMFHESA-N
Molecular Weight 766.824 g/mol
SMILES C1OP(O[C@@]2([C@]([C@@]([C@]([C@@]([C@@]12[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=C(C=C1)OC)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=C(C=C1)OC)[H])[H])(=O)OCC1=CC=CC=C1