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3-BETA,4-ALPHA-DIHYDROXY-4-BETA-(CHLOROMETHYL)-8-ALPHA-(4-HYDROXYTIGLATE)-1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H-GUAI-10(14),11(13)-DIEN-6,12-OLIDE
SpectraBase Compound ID KPLTyUpySS5
InChI InChI=1S/C20H25ClO7/c1-9(4-5-22)18(24)27-13-6-10(2)12-7-14(23)20(26,8-21)16(12)17-15(13)11(3)19(25)28-17/h4,12-17,22-23,26H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m1/s1
InChIKey QYDZDLCERJLVOK-LFNBDIIPSA-N
Mol Weight 412.87 g/mol
Molecular Formula C20H25ClO7
Exact Mass 412.128881 g/mol
Enantiomer InChIKey QYDZDLCERJLVOK-LRJNHNEYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2:DMSO-D6=7:1
Title Journal or Book Year
Constituents of the EgyptianCentaurea scoparia; Chlorinated Guaianolides of the Aerial Parts Planta Medica 1994

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