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KHAEPHUOSIDE-B
SpectraBase Compound ID 3MMcQ0DioeT
InChI InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20-,21+,23-,24+,26-,27+,28-/m1/s1
InChIKey FNNPPDWPJSIZBK-NSUMHAEISA-N
Mol Weight 628.6 g/mol
Molecular Formula C28H36O16
Exact Mass 628.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdVLkoUFnlm
Name KHAEPHUOSIDE-B;3'''-METHOXY-4'''-HYDROXYBENZOIC-ACID-ESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O16
InChI InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20-,21+,23-,24+,26-,27+,28-/m1/s1
InChIKey FNNPPDWPJSIZBK-NSUMHAEISA-N
Literature Reference Author T.KANCHANAPOOM,R.KASAI,K.YAMASAKI
Literature Reference Citation PHYTOCHEM.,59,565(2002)
Literature Reference DOI 10.1016/S0031-9422(01)00476-9
Molecular Weight 628.584 g/mol
Solvent CD3OD