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1,5-Anhydro-1,3,4,6-tetra-o-benzyl-1-C-(naphthalen-2'-yl)-D-glucitol

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1,5-Anhydro-1,3,4,6-tetra-o-benzyl-1-C-(naphthalen-2'-yl)-D-glucitol
SpectraBase Compound ID K8WcMNT0ioc
InChI InChI=1S/C44H42O5/c1-5-15-33(16-6-1)28-45-32-40-42(46-29-34-17-7-2-8-18-34)44(48-31-36-21-11-4-12-22-36)43(47-30-35-19-9-3-10-20-35)41(49-40)39-26-25-37-23-13-14-24-38(37)27-39/h1-27,40-44H,28-32H2/t40-,41?,42?,43+,44-/m1/s1
InChIKey BDJLPKHLMXSVDK-HUULVLLPSA-N
Mol Weight 650.8 g/mol
Molecular Formula C44H42O5
Exact Mass 650.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22TRgqv6NNK
Name 1,5-Anhydro-1,3,4,6-tetra-o-benzyl-1-C-(naphthalen-2'-yl)-D-glucitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 650.303224447 u
Formula C44H42O5
InChI InChI=1S/C44H42O5/c1-5-15-33(16-6-1)28-45-32-40-42(46-29-34-17-7-2-8-18-34)44(48-31-36-21-11-4-12-22-36)43(47-30-35-19-9-3-10-20-35)41(49-40)39-26-25-37-23-13-14-24-38(37)27-39/h1-27,40-44H,28-32H2/t40-,41?,42?,43+,44-/m1/s1
InChIKey BDJLPKHLMXSVDK-HUULVLLPSA-N
SMILES [C@]1([C@](C(C=2C=C3C=CC=CC3=CC2)O[C@@](C1OCC1=CC=CC=C1)(COCC1=CC=CC=C1)[H])(OCC=1C=CC=CC1)[H])(OCC1=CC=CC=C1)[H]