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Methyl-3,6-anhydro-7-o-dibenzyloxyphosphoryl-2,4-di-o-benzyl-L-glycero-beta-D-manno-heptopyranoside

View entire compound with spectra: 2 NMR

Methyl-3,6-anhydro-7-o-dibenzyloxyphosphoryl-2,4-di-o-benzyl-L-glycero-beta-D-manno-heptopyranoside
SpectraBase Compound ID 1NMbfJJa9QE
InChI InChI=1S/C36H39O9P/c1-38-36-35(40-23-28-16-8-3-9-17-28)34-33(39-22-27-14-6-2-7-15-27)32(45-36)31(44-34)26-43-46(37,41-24-29-18-10-4-11-19-29)42-25-30-20-12-5-13-21-30/h2-21,31-36H,22-26H2,1H3/t31-,32-,33-,34+,35+,36-/m1/s1
InChIKey COKYVEGCJLFZPA-KPTSLFCISA-N
Mol Weight 646.7 g/mol
Molecular Formula C36H39O9P
Exact Mass 646.23317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EINApy6E1yc
Name Methyl-3,6-anhydro-7-o-dibenzyloxyphosphoryl-2,4-di-o-benzyl-L-glycero-beta-D-manno-heptopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.233169825 u
Formula C36H39O9P
InChI InChI=1S/C36H39O9P/c1-38-36-35(40-23-28-16-8-3-9-17-28)34-33(39-22-27-14-6-2-7-15-27)32(45-36)31(44-34)26-43-46(37,41-24-29-18-10-4-11-19-29)42-25-30-20-12-5-13-21-30/h2-21,31-36H,22-26H2,1H3/t31-,32-,33-,34+,35+,36-/m1/s1
InChIKey COKYVEGCJLFZPA-KPTSLFCISA-N
Molecular Weight 646.673 g/mol
SMILES [C@@]1(OC)([C@]([C@@]2([C@@]([C@](O1)([C@](O2)(COP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])[H]