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3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID
SpectraBase Compound ID BD54rVi5IJ1
InChI InChI=1S/C42H66O14/c1-37(2)15-16-42(36(50)51)21(17-37)20-9-10-24-39(5)13-12-26(38(3,4)23(39)11-14-40(24,6)41(20,7)18-25(42)44)54-35-30(48)31(29(47)32(56-35)33(49)52-8)55-34-28(46)27(45)22(43)19-53-34/h9,21-32,34-35,43-48H,10-19H2,1-8H3,(H,50,51)/t21?,22-,23?,24?,25-,26+,27+,28-,29+,30-,31+,32+,34+,35-,39+,40-,41-,42-/m1/s1
InChIKey VSDLMXUAHWKMRE-KRVJKUMVSA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol
Enantiomer InChIKey VSDLMXUAHWKMRE-IKNWQEBPSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
Unknown Identification

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