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IXERIN-Y;8-BETA,15-DIHYDROXY-1(10),3,11(13)-GUAIATRIEN-12,6-OLIDE-15-O-GLUCOPYRANOSIDE
SpectraBase Compound ID 3gcUD6K91Fu
InChI InChI=1S/C21H28O9/c1-8-5-12(23)14-9(2)20(27)30-19(14)15-10(3-4-11(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h3,12-19,21-26H,2,4-7H2,1H3/t12-,13-,14+,15-,16-,17+,18-,19-,21-/m0/s1
InChIKey MKXRDMJASCUCQK-WCZVLXDKSA-N
Mol Weight 424.45 g/mol
Molecular Formula C21H28O9
Exact Mass 424.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DP8YWaph4Py
Name IXERIN-Y;8-BETA,15-DIHYDROXY-1(10),3,11(13)-GUAIATRIEN-12,6-OLIDE-15-O-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O9
InChI InChI=1S/C21H28O9/c1-8-5-12(23)14-9(2)20(27)30-19(14)15-10(3-4-11(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h3,12-19,21-26H,2,4-7H2,1H3/t12-,13-,14+,15-,16-,17+,18-,19-,21-/m0/s1
InChIKey MKXRDMJASCUCQK-WCZVLXDKSA-N
Literature Reference Author J.Y.MA,Z.T.WANG,L.S.XU,G.J.XU
Literature Reference Citation PHYTOCHEM.,50,113(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00452-X
Molecular Weight 424.448 g/mol
Solvent C5D5N
Source File Reference UWVN11094