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GERANIIN
SpectraBase Compound ID 5cTUQve18ei
InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41?/m1/s1
InChIKey WTKZYPVTAXZSEM-PYGBXMOSSA-N
Mol Weight 952.6 g/mol
Molecular Formula C41H28O27
Exact Mass 952.081796 g/mol
Enantiomer InChIKey WTKZYPVTAXZSEM-QQKPPOAPSA-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
13C Nuclear Magnetic Resonance Spectra of Corilagin and Geraniin HETEROCYCLES 1980

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