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5,7,8-TRIHYDROXYCOUMARIN-5-BETA-(6-O-MALONYL-GLUCOPYRANOSIDE)
SpectraBase Compound ID Feg9gBsRjUw
InChI InChI=1S/C18H18O13/c19-7-3-8(6-1-2-11(22)31-17(6)13(7)24)29-18-16(27)15(26)14(25)9(30-18)5-28-12(23)4-10(20)21/h1-3,9,14-16,18-19,24-27H,4-5H2,(H,20,21)/t9-,14-,15+,16-,18-/m1/s1
InChIKey ALGRXJNDUINCPU-DLACZOMZSA-N
Mol Weight 442.33 g/mol
Molecular Formula C18H18O13
Exact Mass 442.074741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LoTDoen2WtL
Name 5,7,8-TRIHYDROXYCOUMARIN-5-BETA-(6-O-MALONYL-GLUCOPYRANOSIDE)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O13
InChI InChI=1S/C18H18O13/c19-7-3-8(6-1-2-11(22)31-17(6)13(7)24)29-18-16(27)15(26)14(25)9(30-18)5-28-12(23)4-10(20)21/h1-3,9,14-16,18-19,24-27H,4-5H2,(H,20,21)/t9-,14-,15+,16-,18-/m1/s1
InChIKey ALGRXJNDUINCPU-DLACZOMZSA-N
Literature Reference Author M.JUNG,H.GEIGER,H.D.ZINSMEISTER
Literature Reference Citation PHYTOCHEM.,39,379(1995)
Literature Reference DOI 10.1016/0031-9422(94)00888-Z
Molecular Weight 442.333 g/mol
Solvent DMSO-D6
Source File Reference UWMZ8485