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PENTAACETYL-CACHINESIDE-3
SpectraBase Compound ID C6nTO3rNyRB
InChI InChI=1S/C35H40O18/c1-17(37)45-16-25-28(48-19(3)39)29(49-20(4)40)30(50-21(5)41)32(51-25)53-33-31-34(6,43)26(13-35(31,44)23(14-36)15-46-33)52-27(42)12-9-22-7-10-24(11-8-22)47-18(2)38/h7-12,14-15,25-26,28-33,43-44H,13,16H2,1-6H3/b12-9+/t25?,26-,28?,29?,30?,31?,32?,33?,34-,35-/m1/s1
InChIKey FKIGGHGCWKMEBA-HSMRQSCFSA-N
Mol Weight 748.7 g/mol
Molecular Formula C35H40O18
Exact Mass 748.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2XzVkjFGKB
Name PENTAACETYL-CACHINESIDE-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H40O18
InChI InChI=1S/C35H40O18/c1-17(37)45-16-25-28(48-19(3)39)29(49-20(4)40)30(50-21(5)41)32(51-25)53-33-31-34(6,43)26(13-35(31,44)23(14-36)15-46-33)52-27(42)12-9-22-7-10-24(11-8-22)47-18(2)38/h7-12,14-15,25-26,28-33,43-44H,13,16H2,1-6H3/b12-9+/t25?,26-,28?,29?,30?,31?,32?,33?,34-,35-/m1/s1
InChIKey FKIGGHGCWKMEBA-HSMRQSCFSA-N
Literature Reference Author Y.IMAKURA,S.KOBAYASHI
Literature Reference Citation HETEROCYCLES,24,2593(1986)
Literature Reference DOI 10.3987/R-1986-09-2593
Molecular Weight 748.692 g/mol
Solvent CDCl3
Source File Reference UWED8607