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BETA-D-(3-0-SINAPOYL)-FRUCTOFURANOSYL-ALPHA-D-(3-0-ACETYL-6-0-SINAPOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID BVR7NwC42Av
InChI InChI=1S/C36H44O20/c1-17(39)52-33-30(44)25(15-51-26(40)8-6-18-10-20(47-2)28(42)21(11-18)48-3)53-35(32(33)46)56-36(16-38)34(31(45)24(14-37)55-36)54-27(41)9-7-19-12-22(49-4)29(43)23(13-19)50-5/h6-13,24-25,30-35,37-38,42-46H,14-16H2,1-5H3/b8-6+,9-7+/t24-,25-,30-,31-,32-,33+,34+,35-,36+/m0/s1
InChIKey ZQTCCKBIIGONCD-ZIDDGNEESA-N
Mol Weight 796.7 g/mol
Molecular Formula C36H44O20
Exact Mass 796.242594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YGqG78jsSF
Name BETA-D-(3-0-SINAPOYL)-FRUCTOFURANOSYL-ALPHA-D-(3-0-ACETYL-6-0-SINAPOYL)-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44O20
InChI InChI=1S/C36H44O20/c1-17(39)52-33-30(44)25(15-51-26(40)8-6-18-10-20(47-2)28(42)21(11-18)48-3)53-35(32(33)46)56-36(16-38)34(31(45)24(14-37)55-36)54-27(41)9-7-19-12-22(49-4)29(43)23(13-19)50-5/h6-13,24-25,30-35,37-38,42-46H,14-16H2,1-5H3/b8-6+,9-7+/t24-,25-,30-,31-,32-,33+,34+,35-,36+/m0/s1
InChIKey ZQTCCKBIIGONCD-ZIDDGNEESA-N
Literature Reference Author A.BASHIR,M.HAMBURGER,J.D.MSONTHI,K.HOSTETTMANN
Literature Reference Citation PHYTOCHEM.,32,741(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95164-1
Molecular Weight 796.733 g/mol
Solvent DMSO-D6
Source File Reference UWSI8815