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2,3,4,6,3',4',6'-HEPTA-O-BENZOYL-1'-DEOXYSUCROSE

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2,3,4,6,3',4',6'-HEPTA-O-BENZOYL-1'-DEOXYSUCROSE
SpectraBase Compound ID AdYiEytWn9I
InChI InChI=1S/C61H50O17/c1-61(52(76-59(68)45-35-21-8-22-36-45)49(73-56(65)42-29-15-5-16-30-42)47(77-61)38-70-54(63)40-25-11-3-12-26-40)78-60-51(75-58(67)44-33-19-7-20-34-44)50(74-57(66)43-31-17-6-18-32-43)48(72-55(64)41-27-13-4-14-28-41)46(71-60)37-69-53(62)39-23-9-2-10-24-39/h2-36,46-52,60H,37-38H2,1H3/t46-,47-,48-,49-,50+,51-,52+,60-,61+/m1/s1
InChIKey LRPZNJLBIPWZGX-ILIPRKQJSA-N
Mol Weight 1055.1 g/mol
Molecular Formula C61H50O17
Exact Mass 1054.3048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VDMKPghMIy
Name 2,3,4,6,3',4',6'-HEPTA-O-BENZOYL-1'-DEOXYSUCROSE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H50O17
InChI InChI=1S/C61H50O17/c1-61(52(76-59(68)45-35-21-8-22-36-45)49(73-56(65)42-29-15-5-16-30-42)47(77-61)38-70-54(63)40-25-11-3-12-26-40)78-60-51(75-58(67)44-33-19-7-20-34-44)50(74-57(66)43-31-17-6-18-32-43)48(72-55(64)41-27-13-4-14-28-41)46(71-60)37-69-53(62)39-23-9-2-10-24-39/h2-36,46-52,60H,37-38H2,1H3/t46-,47-,48-,49-,50+,51-,52+,60-,61+/m1/s1
InChIKey LRPZNJLBIPWZGX-ILIPRKQJSA-N
Literature Reference Author R.D.G.GUTHRIE,I.D.JENKINS,J.J.WATTERS
Literature Reference Citation AUSTR.J.CHEM.,33,2487(1980)
Literature Reference DOI 10.1071/ch9802487
Molecular Weight 1055.058 g/mol
Solvent CDCl3
Source File Reference UWED1641