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Sedoheptulosan tetrabenzoate

View entire compound with spectra: 1 NMR

Sedoheptulosan tetrabenzoate
SpectraBase Compound ID 91FmXttQbbG
InChI InChI=1S/C35H28O10/c36-31(23-13-5-1-6-14-23)40-22-35-30(44-34(39)26-19-11-4-12-20-26)29(43-33(38)25-17-9-3-10-18-25)28(27(45-35)21-41-35)42-32(37)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-,29-,30+,35-/m1/s1
InChIKey RVJAFHLESVAHSY-RJBLCDMHSA-N
Mol Weight 608.6 g/mol
Molecular Formula C35H28O10
Exact Mass 608.168247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iIiJNihySO
Name Sedoheptulosan tetrabenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.168247092 u
Formula C35H28O10
InChI InChI=1S/C35H28O10/c36-31(23-13-5-1-6-14-23)40-22-35-30(44-34(39)26-19-11-4-12-20-26)29(43-33(38)25-17-9-3-10-18-25)28(27(45-35)21-41-35)42-32(37)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-,29-,30+,35-/m1/s1
InChIKey RVJAFHLESVAHSY-RJBLCDMHSA-N
Molecular Weight 608.599 g/mol
SMILES [C@@]1([C@@]2(O[C@@]([C@]([C@@]1(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H])(COC(=O)C1=CC=CC=C1)OC2)[H])(OC(=O)C1=CC=CC=C1)[H]