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ATRACTYLOSIDE
SpectraBase Compound ID 4bdg4eInpjP
InChI InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1
InChIKey IUCNQFHEWLYECJ-FNAJZLPOSA-L
Mol Weight 802.9826 g/mol
Molecular Formula C30H44K2O16S2
Exact Mass 802.134491 g/mol
Parent InChIKey FYQXODZRNSCOTR-QLKRWLHJSA-L
Enantiomer InChIKey IUCNQFHEWLYECJ-VLIGFMKISA-L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Structural Characterization and Antimicrobial Evaluation of Atractyloside, Atractyligenin, and 15-Didehydroatractyligenin Methyl Ester Journal of Natural Products 2012

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