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12-oleanaen-3beta-caffeate
SpectraBase Compound ID BslZ4JU914H
InChI InChI=1S/C39H56O4/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/h9-12,14,23,27,30-32,40-41H,13,15-22,24H2,1-8H3/b14-10+/t27-,30-,31+,32-,36+,37-,38+,39+/m0/s1
InChIKey WMLHHOMSBSMPKW-BOEORNCCSA-N
Mol Weight 588.9 g/mol
Molecular Formula C39H56O4
Exact Mass 588.41786 g/mol
Enantiomer InChIKey WMLHHOMSBSMPKW-AJTTUUIDSA-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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