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Sucrose benzoate
SpectraBase Compound ID 14cBmMvTQQ4
InChI InChI=1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56+,57-,58+,67-,68+/m1/s1
InChIKey AKIVKIDZMLQJCH-KWOGCLBWSA-N
Mol Weight 1175.2 g/mol
Molecular Formula C68H54O19
Exact Mass 1174.325929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RNoQKlXTO0
Name .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-benzoyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetrabenzoate
Alternate Name(s) .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-benzoyl-.beta.-D-fructofuranosyl, tetrabenzoate (2S,3S,4R,5R)-4-(benzoyloxy)-2,5-bis[(benzoyloxy)methyl]-2-{[(2S,3S,4R,5S,6S)-2,4,5-tris(benzoyloxy)-6-[(benzoyloxy)methyl]oxan-3-yl]oxy}oxolan-3-yl benzoate Sucrose, octabenzoate Sucrose-perbenzoate
CAS Registry Number 2425-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C68H54O19
InChI InChI=1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56+,57-,58+,67-,68+/m1/s1
InChIKey AKIVKIDZMLQJCH-KWOGCLBWSA-N
Molecular Weight 1175.161 g/mol
SMILES [C@]1([C@]([C@](OC(=O)c2ccccc2)([C@](O1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])(O[C@@]1([C@@]([C@@](OC(=O)c2ccccc2)([C@@]([C@](O1)(COC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H])COC(=O)c1ccccc1
SPLASH splash10-0a4i-1910010000-d6790b98deb393d3df95
Source of Spectrum KO-6-118-1
Wiley ID 1418673