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9(11),12-oleanadien-3beta-caffeate
SpectraBase Compound ID 38xGrAbCm6q
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/t27-,30-,32-,36+,37-,38+,39+/m0/s1
InChIKey AOZDPCOPAMZROC-NRYDRBOKSA-N
Mol Weight 586.9 g/mol
Molecular Formula C39H54O4
Exact Mass 586.40221 g/mol
Enantiomer InChIKey AOZDPCOPAMZROC-KGEURGHMSA-N
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Source of Spectrum QA-49-435-5

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Wiley Registry of Mass Spectral Data 2023

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