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3-O-BETA-[XYLOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN
SpectraBase Compound ID PbKvK9nlX8
InChI InChI=1S/C46H72O18/c1-41(2)13-15-46(40(57)58)16-14-44(5)21(22(46)17-41)7-8-26-42(3)11-10-27(43(4,20-47)25(42)9-12-45(26,44)6)61-39-34(63-38-31(53)29(51)24(49)19-60-38)32(54)33(35(64-39)36(55)56)62-37-30(52)28(50)23(48)18-59-37/h7,22-35,37-39,47-54H,8-20H2,1-6H3,(H,55,56)(H,57,58)/t22?,23-,24+,25?,26?,27-,28+,29-,30-,31+,32-,33-,34+,35-,37+,38-,39+,42-,43-,44+,45+,46-/m0/s1
InChIKey SBOAURCYSQZYBZ-YDBMWUDNSA-N
Mol Weight 913.1 g/mol
Molecular Formula C46H72O18
Exact Mass 912.471865 g/mol
Enantiomer InChIKey SBOAURCYSQZYBZ-DHHINARTSA-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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