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CARBOXYATRACTYLOSIDE
SpectraBase Compound ID GQOcpjMjIbE
InChI InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18+,19+,20+,22+,23-,24+,25+,26+,29+,30-/m1/s1
InChIKey AQFATIOBERWBDY-MUYOHZAKSA-N
Mol Weight 770.8 g/mol
Molecular Formula C31H46O18S2
Exact Mass 770.212557 g/mol
Enantiomer InChIKey AQFATIOBERWBDY-LVVGUDJTSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Title Journal or Book Year
Two Toxic Kaurene Glycosides from the Burrs of Xanthium pungens Journal of Natural Products 1990

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