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3-O-AC-ALLO-BOX
SpectraBase Compound ID Lur2HAtDY7i
InChI InChI=1S/C35H38N2O12/c1-17(38)42-27-23-31(44-21-15-40-29(46-25(21)27)19-11-7-5-8-12-19)48-33(36-23)35(3,4)34-37-24-28(43-18(2)39)26-22(45-32(24)49-34)16-41-30(47-26)20-13-9-6-10-14-20/h5-14,21-32H,15-16H2,1-4H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
InChIKey NNXLFLLIIMVDSP-MWTXLEQXSA-N
Mol Weight 678.7 g/mol
Molecular Formula C35H38N2O12
Exact Mass 678.242475 g/mol
Enantiomer InChIKey NNXLFLLIIMVDSP-FOHYMGDTSA-N
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Solvent CDCl3

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