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CALCIUM-4-O-BETA-D-GLUCOPYRANOSYL-(Z)-PARA-COUMARATE

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CALCIUM-4-O-BETA-D-GLUCOPYRANOSYL-(Z)-PARA-COUMARATE
SpectraBase Compound ID I1j7eK2FxfN
InChI InChI=1S/2C15H18O8.Ca/c2*16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18;/h2*1-6,10,12-16,19-21H,7H2,(H,17,18);/q;;+2/p-2/b2*6-3-;/t2*10-,12-,13+,14-,15-;/m11./s1
InChIKey QPGJKEYHBHQBBS-USJDNFMYSA-L
Mol Weight 690.66 g/mol
Molecular Formula C30H34CaO16
Exact Mass 690.147276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIXZk6TpQFm
Name CALCIUM-4-O-BETA-D-GLUCOPYRANOSYL-(Z)-PARA-COUMARATE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34CaO16
InChI InChI=1S/2C15H18O8.Ca/c2*16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18;/h2*1-6,10,12-16,19-21H,7H2,(H,17,18);/q;;+2/p-2/b2*6-3-;/t2*10-,12-,13+,14-,15-;/m11./s1
InChIKey QPGJKEYHBHQBBS-USJDNFMYSA-L
Literature Reference Author M.UEDA,T.OHNUKI,S.YAMAMURA
Literature Reference Citation PHYTOCHEM.,49,633(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00134-4
Molecular Weight 690.670 g/mol
Solvent D2O
Source File Reference UWLU167