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3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA-DIHYDROXY-OLEAN-12-EN-23-ALPHA,28-DIOIC_ACID
SpectraBase Compound ID IeAgNKZDPI4
InChI InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(44)32(41(6,35(51)52)25(38)9-10-40(24,39)5)58-34-31(50)29(48)27(46)23(57-34)18-55-33-30(49)28(47)26(45)22(17-43)56-33/h7,20-34,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21-,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,38+,39+,40+,41-,42-/m0/s1
InChIKey AFFNUXDFGIUNAF-ZDPKYLDMSA-N
Mol Weight 827.0 g/mol
Molecular Formula C42H66O16
Exact Mass 826.435086 g/mol
Enantiomer InChIKey AFFNUXDFGIUNAF-UXPOFYCASA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Medicagenic acid saponins from Aster batangensis Phytochemistry 1995

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