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GYMNOSIDE_IV
SpectraBase Compound ID IdTKhnb9lmS
InChI InChI=1S/C49H62O23/c1-25(2)18-49(48(63)65-24-28-10-15-30(16-11-28)67-46-42(61)40(59)37(56)32(21-51)69-46,72-47-43(62)44(38(57)33(22-52)70-47)71-34(53)17-12-26-6-4-3-5-7-26)19-35(54)64-23-27-8-13-29(14-9-27)66-45-41(60)39(58)36(55)31(20-50)68-45/h3-17,25,31-33,36-47,50-52,55-62H,18-24H2,1-2H3/b17-12+/t31-,32+,33-,36-,37+,38-,39+,40-,41-,42+,43-,44+,45-,46+,47+,49-/m1/s1
InChIKey JBOKFORDBNKZPH-BDUJEPMZSA-N
Mol Weight 1019.0 g/mol
Molecular Formula C49H62O23
Exact Mass 1018.368188 g/mol
Enantiomer InChIKey JBOKFORDBNKZPH-CZZWWIAUSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Glucosyloxybenzyl 2-Isobutylmalates from the Tubers of Gymnadenia conopsea Journal of Natural Products 2006

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