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PAEONIANIN-E
SpectraBase Compound ID 7tjyFfyDaIR
InChI InChI=1S/C42H30O26/c1-64-38(59)7-2-11(43)27(51)31(55)19(7)22-21-23-20(32(56)34(58)33(21)57)18-10(5-14(46)26(50)30(18)54)41(62)68-37(36(22)67-42(23)63)35-15(47)6-65-39(60)8-3-12(44)24(48)28(52)16(8)17-9(40(61)66-35)4-13(45)25(49)29(17)53/h2-5,15,22,35-37,43-58H,6H2,1H3/t15-,22-,35-,36+,37-/m1/s1
InChIKey GTHKFYXPOPHMRR-QTQMPMJFSA-N
Mol Weight 950.7 g/mol
Molecular Formula C42H30O26
Exact Mass 950.102531 g/mol
Enantiomer InChIKey GTHKFYXPOPHMRR-TZZSKELNSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6:D2O
Title Journal or Book Year
Paeonianins A−E, New Dimeric and Monomeric Ellagitannins from the Fruits of Paeonia lactiflora Journal of Natural Products 2003

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