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(1R,2R,3S,4R,5R)-3,4-di-o-Benzyl-5-benzyloxymethylcyclohexane-1,2,3,4-tetraol

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(1R,2R,3S,4R,5R)-3,4-di-o-Benzyl-5-benzyloxymethylcyclohexane-1,2,3,4-tetraol
SpectraBase Compound ID 2LxGnx6Y4ch
InChI InChI=1S/C28H32O5/c29-25-16-24(20-31-17-21-10-4-1-5-11-21)27(32-18-22-12-6-2-7-13-22)28(26(25)30)33-19-23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24-,25-,26-,27-,28+/m1/s1
InChIKey PQJIDAJMAHEJJO-FXGKLIOSSA-N
Mol Weight 448.6 g/mol
Molecular Formula C28H32O5
Exact Mass 448.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2Ontlri9U
Name (1R,2R,3S,4R,5R)-3,4-di-o-Benzyl-5-benzyloxymethylcyclohexane-1,2,3,4-tetraol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.224974125 u
Formula C28H32O5
InChI InChI=1S/C28H32O5/c29-25-16-24(20-31-17-21-10-4-1-5-11-21)27(32-18-22-12-6-2-7-13-22)28(26(25)30)33-19-23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24-,25-,26-,27-,28+/m1/s1
InChIKey PQJIDAJMAHEJJO-FXGKLIOSSA-N
Molecular Weight 448.559 g/mol
Nominal Mass 448 u
SMILES C(C1=CC=CC=C1)O[C@]1([C@@]([C@@](C[C@@]([C@]1(OCC1=CC=CC=C1)[H])(COCC1=CC=CC=C1)[H])(O)[H])(O)[H])[H]