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1'-MONODECARBOXY-VALONEIC-ACID-DILACTONE
SpectraBase Compound ID Akrku4LUVBb
InChI InChI=1S/C20H10O11/c21-7-1-2-9(15(25)13(7)23)29-10-4-6-12-11-5(19(27)31-18(12)16(10)26)3-8(22)14(24)17(11)30-20(6)28/h1-4,21-26H
InChIKey LGMNKSBINQXDAI-UHFFFAOYSA-N
Mol Weight 426.29 g/mol
Molecular Formula C20H10O11
Exact Mass 426.022311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GthR8wqJND
Name 4-O-(2'',3'',4''-TRIHYDROXYPHENYL)-ELLAGIC_ACID;ESCHWEILENOL_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H10O11
InChI InChI=1S/C20H10O11/c21-7-1-2-9(15(25)13(7)23)29-10-4-6-12-11-5(19(27)31-18(12)16(10)26)3-8(22)14(24)17(11)30-20(6)28/h1-4,21-26H
InChIKey LGMNKSBINQXDAI-UHFFFAOYSA-N
Literature Reference Author S.W.YANG,B.N.ZHOU,J.H.WISSE,R.EVANS,H.VANDERWERFF,J.S.MILLER ,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,61,901(1998)
Literature Reference DOI 10.1021/np980046u
Molecular Weight 426.293 g/mol
Solvent CD3OD
Source File Reference UWMZ922