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9(11),12-oleanadien-3beta-caffeate
SpectraBase Compound ID 6q82C3K5k2r
InChI InChI=1S/C39H54O4/c1-34(2)19-20-36(5)21-22-38(7)26(27(36)24-34)11-13-31-37(6)17-16-32(35(3,4)30(37)15-18-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-14,23,27,30,32,40-41H,15-22,24H2,1-8H3/b14-10+/t27-,30-,32-,36+,37-,38+,39+/m0/s1
InChIKey AOZDPCOPAMZROC-NKQBQCPUSA-N
Mol Weight 586.9 g/mol
Molecular Formula C39H54O4
Exact Mass 586.40221 g/mol
Enantiomer InChIKey AOZDPCOPAMZROC-XPQVJLSMSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Chemical Constituents of the Aerial Part ofCelastrus Hypoleucus Journal of the Chinese Chemical Society 2002

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