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PEDUNCULAGIN

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PEDUNCULAGIN
SpectraBase Compound ID HvjoWnuCQ60
InChI InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34-/m0/s1
InChIKey IYMHVUYNBVWXKH-DNLYXQJXSA-N
Mol Weight 784.5 g/mol
Molecular Formula C34H24O22
Exact Mass 784.075922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E80sk15Wi5S
Name PEDUNCULAGIN
Compound Number BETA-#8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H24O22
InChI InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34-/m0/s1
InChIKey IYMHVUYNBVWXKH-DNLYXQJXSA-N
Literature Reference Author N.KASAJIMA,H.ITO,T.HATANO,T.YOSHIDA
Literature Reference Citation PHYTOCHEM.,69,3080(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.03.003
Molecular Weight 784.551 g/mol
Sample ID 63865
Solvent ACETONE-D6:D2O