For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4:3,5:6,7-tri-o-Benzylidene-1-deoxy-D-gluco-D-gulo-heptitol

View entire compound with spectra: 1 NMR

2,4:3,5:6,7-tri-o-Benzylidene-1-deoxy-D-gluco-D-gulo-heptitol
SpectraBase Compound ID 9TsHKM3Doas
InChI InChI=1S/C28H28O6/c1-18-23-25(34-27(30-18)20-13-7-3-8-14-20)24(33-28(32-23)21-15-9-4-10-16-21)22-17-29-26(31-22)19-11-5-2-6-12-19/h2-16,18,22-28H,17H2,1H3
InChIKey KRORVUWPDATVEY-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C28H28O6
Exact Mass 460.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BMQUZAWQDKs
Name 2,4:3,5:6,7-tri-o-Benzylidene-1-deoxy-D-gluco-D-gulo-heptitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.188588616 u
Formula C28H28O6
InChI InChI=1S/C28H28O6/c1-18-23-25(34-27(30-18)20-13-7-3-8-14-20)24(33-28(32-23)21-15-9-4-10-16-21)22-17-29-26(31-22)19-11-5-2-6-12-19/h2-16,18,22-28H,17H2,1H3
InChIKey KRORVUWPDATVEY-UHFFFAOYSA-N
Molecular Weight 460.526 g/mol
SMILES C1(OC(OC2C1OC(OC2C)C1=CC=CC=C1)C1=CC=CC=C1)C1OC(C2=CC=CC=C2)OC1