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.alpha.-D-Glucopyranoside, 3,4-di-O-benzoyl-1,6-bis-O-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 2,3,4-tribenzoate 6-(2,2-dimethylpropanoate)
SpectraBase Compound ID GTn0hVVF76q
InChI InChI=1S/C62H66O19/c1-59(2,3)56(68)71-35-43-45(75-50(63)38-25-15-10-16-26-38)47(77-52(65)40-29-19-12-20-30-40)48(78-53(66)41-31-21-13-22-32-41)55(74-43)81-62(37-73-58(70)61(7,8)9)49(79-54(67)42-33-23-14-24-34-42)46(76-51(64)39-27-17-11-18-28-39)44(80-62)36-72-57(69)60(4,5)6/h10-34,43-49,55H,35-37H2,1-9H3/t43-,44?,45+,46?,47-,48-,49?,55-,62?/m1/s1
InChIKey FASOZIZQYUGLKH-CVXQSULWSA-N
Mol Weight 1115.2 g/mol
Molecular Formula C62H66O19
Exact Mass 1114.41983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGG0E6PmaCL
Name .alpha.-D-Glucopyranoside, 3,4-di-O-benzoyl-1,6-bis-O-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 2,3,4-tribenzoate 6-(2,2-dimethylpropanoate)
CAS Registry Number 90634-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H66O19
InChI InChI=1S/C62H66O19/c1-59(2,3)56(68)71-35-43-45(75-50(63)38-25-15-10-16-26-38)47(77-52(65)40-29-19-12-20-30-40)48(78-53(66)41-31-21-13-22-32-41)55(74-43)81-62(37-73-58(70)61(7,8)9)49(79-54(67)42-33-23-14-24-34-42)46(76-51(64)39-27-17-11-18-28-39)44(80-62)36-72-57(69)60(4,5)6/h10-34,43-49,55H,35-37H2,1-9H3/t43-,44?,45+,46?,47-,48-,49?,55-,62?/m1/s1
InChIKey FASOZIZQYUGLKH-CVXQSULWSA-N
Molecular Weight 1115.191 g/mol
SMILES C1(C(C(OC(=O)c2ccccc2)C(O1)COC(C(C)(C)C)=O)OC(=O)c1ccccc1)(O[C@@]1([C@@]([C@](OC(=O)c2ccccc2)([C@]([C@](O1)(COC(C(C)(C)C)=O)[H])(OC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H])COC(C(C)(C)C)=O
SPLASH splash10-0a4i-3900000000-11b0fd7c006faabd2662
Source of Spectrum KC-1984-427-0
Synonyms 3,4-Di-O-benzoyl-1,6-di-O-pivaloyl.beta.-D-fructofuranosyl 2,3,4-tri-O-benzoyl-6-O-pivaloyl.alpha.-D-glucopyranoside 4-(benzoyloxy)-2,5-bis({[(2,2-dimethylpropanoyl)oxy]methyl})-2-{[(2R,3R,4R,5S,6R)-3,4,5-tris(benzoyloxy)-6-{[(2,2-dimethylpropanoyl)oxy]methyl}oxan-2-yl]oxy}oxolan-3-yl benzoate
Wiley ID 1418599