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28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
SpectraBase Compound ID BNLWSbOshNc
InChI InChI=1S/C45H64O11/c1-40(2)19-20-45(39(52)56-38-37(36(51)29(47)24-54-38)55-35(50)14-10-25-9-12-28(46)30(21-25)53-8)27(22-40)26-11-13-32-42(5)17-16-33(48)41(3,4)31(42)15-18-43(32,6)44(26,7)23-34(45)49/h9-12,14,21,27,29,31-34,36-38,46-49,51H,13,15-20,22-24H2,1-8H3/b14-10+/t27?,29-,31?,32?,33+,34-,36+,37-,38+,42+,43-,44-,45-/m1/s1
InChIKey LJQIUFAEIHHGKJ-KEBURGFCSA-N
Mol Weight 781.0 g/mol
Molecular Formula C45H64O11
Exact Mass 780.444863 g/mol
Enantiomer InChIKey LJQIUFAEIHHGKJ-CNVHRMHHSA-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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