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1,2,5,6-Tetra-O-benzoylhexitol

View entire compound with spectra: 1 MS (GC)

1,2,5,6-Tetra-O-benzoylhexitol
SpectraBase Compound ID FGfOCUTwYXC
InChI InChI=1S/C34H30O10/c35-29(27(43-33(39)25-17-9-3-10-18-25)21-41-31(37)23-13-5-1-6-14-23)30(36)28(44-34(40)26-19-11-4-12-20-26)22-42-32(38)24-15-7-2-8-16-24/h1-20,27-30,35-36H,21-22H2/t27-,28+,29-,30-/m1/s1
InChIKey QKFBGERLVKOEKU-GOGZTAQTSA-N
Mol Weight 598.6 g/mol
Molecular Formula C34H30O10
Exact Mass 598.183897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2f5NCPcVD4N
Name 1,2,5,6-Tetra-O-benzoylhexitol
Alternate Name(s) (2,5,6-tribenzoyloxy-3,4-dihydroxy-hexyl) benzoate benzoic acid (2,5,6-tribenzoyloxy-3,4-dihydroxy-hexyl) ester Glucitol, 1,2,5,6-tetrabenzoate, D- benzoic acid (2,5,6-tribenzoyloxy-3,4-dihydroxyhexyl) ester (2,5,6-tribenzoyloxy-3,4-dihydroxyhexyl) benzoate
CAS Registry Number 20963-95-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30O10
InChI InChI=1S/C34H30O10/c35-29(27(43-33(39)25-17-9-3-10-18-25)21-41-31(37)23-13-5-1-6-14-23)30(36)28(44-34(40)26-19-11-4-12-20-26)22-42-32(38)24-15-7-2-8-16-24/h1-20,27-30,35-36H,21-22H2/t27-,28+,29-,30-/m1/s1
InChIKey QKFBGERLVKOEKU-GOGZTAQTSA-N
Molecular Weight 598.604 g/mol
SMILES O[C@@]([C@](O)([C@@](OC(=O)c1ccccc1)(COC(=O)c1ccccc1)[H])[H])([C@@](COC(=O)c1ccccc1)(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0a4i-2900000000-f251e6883daa22f5e426
Source of Spectrum HE-1982-0-0
Wiley ID 1409964