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UHDENOSIDE_HEXAACETATE
SpectraBase Compound ID 83KJgg6t1D7
InChI InChI=1S/C36H42O19/c1-18(37)46-14-12-26-27(15-30(43)47-13-11-24-7-9-25(10-8-24)50-20(3)39)28(34(44)45)16-49-35(26)55-36-33(53-23(6)42)32(52-22(5)41)31(51-21(4)40)29(54-36)17-48-19(2)38/h7-10,12,16,27,29,31-33,35-36H,11,13-15,17H2,1-6H3,(H,44,45)/b26-12-/t27-,29-,31-,32+,33-,35-,36+/m0/s1
InChIKey CFRZUJBRMVSWOW-BTRHEKHGSA-N
Mol Weight 778.7 g/mol
Molecular Formula C36H42O19
Exact Mass 778.232029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61kNz4jCoYp
Name UHDENOSIDE_HEXAACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O19
InChI InChI=1S/C36H42O19/c1-18(37)46-14-12-26-27(15-30(43)47-13-11-24-7-9-25(10-8-24)50-20(3)39)28(34(44)45)16-49-35(26)55-36-33(53-23(6)42)32(52-22(5)41)31(51-21(4)40)29(54-36)17-48-19(2)38/h7-10,12,16,27,29,31-33,35-36H,11,13-15,17H2,1-6H3,(H,44,45)/b26-12-/t27-,29-,31-,32+,33-,35-,36+/m0/s1
InChIKey CFRZUJBRMVSWOW-BTRHEKHGSA-N
Literature Reference Author Y.C.SHEN,C.Y.CHEN
Literature Reference Citation PLANTA.MED.,61,281(1995)
Literature Reference DOI 10.1055/s-2006-958076
Molecular Weight 778.718 g/mol
Solvent CDCl3
Source File Reference UIAP702