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Penta-o-benzoyl-L-ribitol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Penta-o-benzoyl-L-ribitol
SpectraBase Compound ID JM9aPlXOiPf
InChI InChI=1S/C40H32O10/c41-36(28-16-6-1-7-17-28)46-26-33(48-38(43)30-20-10-3-11-21-30)35(50-40(45)32-24-14-5-15-25-32)34(49-39(44)31-22-12-4-13-23-31)27-47-37(42)29-18-8-2-9-19-29/h1-25,33-35H,26-27H2/t33-,34+,35-
InChIKey ONSNNRCRCCRTMP-SGIQEJNWSA-N
Mol Weight 672.7 g/mol
Molecular Formula C40H32O10
Exact Mass 672.199547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnI2kcpN7Mi
Name Penta-o-benzoyl-L-ribitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 672.199547220 u
Formula C40H32O10
InChI InChI=1S/C40H32O10/c41-36(28-16-6-1-7-17-28)46-26-33(48-38(43)30-20-10-3-11-21-30)35(50-40(45)32-24-14-5-15-25-32)34(49-39(44)31-22-12-4-13-23-31)27-47-37(42)29-18-8-2-9-19-29/h1-25,33-35H,26-27H2/t33-,34+,35-
InChIKey ONSNNRCRCCRTMP-SGIQEJNWSA-N
SMILES [C@](OC(=O)C1=CC=CC=C1)([C@@](OC(=O)C=1C=CC=CC1)(COC(=O)C=1C=CC=CC1)[H])([C@](OC(=O)C1=CC=CC=C1)(COC(=O)C1=CC=CC=C1)[H])[H]