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PURGIC_ACID_B_METHYLESTER;METHYL-(11-S)-HYDROXYHEXADECANOATE_11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[BETA-D-FUCOPYRAN
SpectraBase Compound ID EZgbNPc20b7
InChI InChI=1S/C53H94O29/c1-7-8-14-17-26(18-15-12-10-9-11-13-16-19-29(56)70-6)75-51-45(37(64)32(59)24(4)73-51)82-53-47(39(66)34(61)28(21-55)77-53)81-50-42(69)44(43(25(5)74-50)78-48-40(67)35(62)30(57)22(2)71-48)79-52-46(38(65)33(60)27(20-54)76-52)80-49-41(68)36(63)31(58)23(3)72-49/h22-28,30-55,57-69H,7-21H2,1-6H3/t22-,23+,24-,25+,26-,27+,28-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41+,42-,43+,44+,45-,46+,47-,48+,49-,50+,51+,52-,53+/m0/s1
InChIKey OHRRDQUIPKLBHO-IYPNUKHFSA-N
Mol Weight 1195.3 g/mol
Molecular Formula C53H94O29
Exact Mass 1194.588077 g/mol
Enantiomer InChIKey OHRRDQUIPKLBHO-NIYMFQSSSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Profiling of the Resin Glycoside Content of Mexican Jalap Roots with Purgative Activity Journal of Natural Products 2006

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