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Allitol, 2,5-anhydro-1,3,4,6-tetrakis-O-(phenylmethyl)-
SpectraBase Compound ID IJSCYFLhFKK
InChI InChI=1S/C34H36O5/c1-5-13-27(14-6-1)21-35-25-31-33(37-23-29-17-9-3-10-18-29)34(38-24-30-19-11-4-12-20-30)32(39-31)26-36-22-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31?,32?,33-,34+
InChIKey DHVGVYQEYOXUTI-AJBRRXLCSA-N
Mol Weight 524.7 g/mol
Molecular Formula C34H36O5
Exact Mass 524.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Zm7Nbvsjqp
Name Allitol, 2,5-anhydro-1,3,4,6-tetrakis-O-(phenylmethyl)-
CAS Registry Number 113889-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36O5
InChI InChI=1S/C34H36O5/c1-5-13-27(14-6-1)21-35-25-31-33(37-23-29-17-9-3-10-18-29)34(38-24-30-19-11-4-12-20-30)32(39-31)26-36-22-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31?,32?,33-,34+
InChIKey DHVGVYQEYOXUTI-AJBRRXLCSA-N
Molecular Weight 524.657 g/mol
SMILES [C@@]1([C@@](C(COCc2ccccc2)OC1COCc1ccccc1)(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-005c-0006590000-95528674757f55249baf
Source of Spectrum C-110-2505-0
Synonyms 2,5-anhydro-1,3,4,6-tetra-O-benzyl-D-erythro-hexitol O-benzyl-(2,3,5-tri-O-benzyl-.alpha.-D-ribosyl)methanol
Wiley ID 1402626