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GYMNOSIDE_III
SpectraBase Compound ID 9q7r6amJw7y
InChI InChI=1S/C42H58O23/c1-19(2)12-42(65-40-37(55)34(52)31(49)27(64-40)18-57-20(3)45,41(56)59-17-22-6-10-24(11-7-22)61-39-36(54)33(51)30(48)26(15-44)63-39)13-28(46)58-16-21-4-8-23(9-5-21)60-38-35(53)32(50)29(47)25(14-43)62-38/h4-11,19,25-27,29-40,43-44,47-55H,12-18H2,1-3H3/t25-,26+,27-,29-,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40+,42-/m1/s1
InChIKey MHVQDAOKYCPBQU-RBOXZYEKSA-N
Mol Weight 930.9 g/mol
Molecular Formula C42H58O23
Exact Mass 930.336888 g/mol
Enantiomer InChIKey MHVQDAOKYCPBQU-QUXOBZOPSA-N
Copyright Copyright © 2016-2024 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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