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ILEXOSIDE_II
SpectraBase Compound ID KD43GNO3GQX
InChI InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-40-34(56)32(54)30(52)25(19-49)62-40)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-38-35(57)36(23(50)20-60-38)64-39-33(55)31(53)29(51)24(18-48)61-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1
InChIKey RJERVICEUNVSDW-YZIKYWQWSA-N
Mol Weight 929.1 g/mol
Molecular Formula C47H76O18
Exact Mass 928.503166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 189vsAqChy0
Name ILEXOSIDE-II;3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-POMOLIC-ACID-28-BETA-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H76O18
InChI InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-40-34(56)32(54)30(52)25(19-49)62-40)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-38-35(57)36(23(50)20-60-38)64-39-33(55)31(53)29(51)24(18-48)61-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1
InChIKey RJERVICEUNVSDW-YZIKYWQWSA-N
Literature Reference Author A.T.C.TAKETA,E.BREITMAIER,E.P.SCHENKEL
Literature Reference Citation J.BRAZ.CHEM.SOC.,15,205(2004)
Literature Reference DOI 10.1590/s0103-50532004000200008
Molecular Weight 929.110 g/mol
Solvent C5D5N
Source File Reference UWLU6998