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1'-O-CAFFEOYL-6'-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE-PERBENZOYLATED
SpectraBase Compound ID 3oJZ1AyTQ42
InChI InChI=1S/C78H54O21/c79-64(44-42-49-41-43-59(90-70(81)50-25-9-1-10-26-50)60(45-49)91-71(82)51-27-11-2-12-28-51)95-78-68(99-77(88)57-39-23-8-24-40-57)67(98-76(87)56-37-21-7-22-38-56)66(97-75(86)55-35-19-6-20-36-55)63(94-78)48-89-69(80)58-46-61(92-72(83)52-29-13-3-14-30-52)65(96-74(85)54-33-17-5-18-34-54)62(47-58)93-73(84)53-31-15-4-16-32-53/h1-47,63,66-68,78H,48H2/b44-42+/t63-,66-,67+,68-,78+/m1/s1
InChIKey ZGNMBTRIIFNSEQ-JZSUIEAWSA-N
Mol Weight 1327.3 g/mol
Molecular Formula C78H54O21
Exact Mass 1326.315759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27Es4tJsC9Q
Name 1'-O-CAFFEOYL-6'-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE-PERBENZOYLATED
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H54O21
InChI InChI=1S/C78H54O21/c79-64(44-42-49-41-43-59(90-70(81)50-25-9-1-10-26-50)60(45-49)91-71(82)51-27-11-2-12-28-51)95-78-68(99-77(88)57-39-23-8-24-40-57)67(98-76(87)56-37-21-7-22-38-56)66(97-75(86)55-35-19-6-20-36-55)63(94-78)48-89-69(80)58-46-61(92-72(83)52-29-13-3-14-30-52)65(96-74(85)54-33-17-5-18-34-54)62(47-58)93-73(84)53-31-15-4-16-32-53/h1-47,63,66-68,78H,48H2/b44-42+/t63-,66-,67+,68-,78+/m1/s1
InChIKey ZGNMBTRIIFNSEQ-JZSUIEAWSA-N
Literature Reference Author G.ALIOTTA,A.MOLINARO,P.MONACO,G.PINTO,L.PREVITERA
Literature Reference Citation PHYTOCHEM.,31,109(1992)
Literature Reference DOI 10.1016/0031-9422(91)83017-F
Molecular Weight 1327.274 g/mol
Solvent ACETONE-D6
Source File Reference UWLU5193