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7-O-ALPHA-CARBOXYHEPTYLDAIDZEIN-ETHYLESTER
SpectraBase Compound ID 9IILCX7ANfF
InChI InChI=1S/C25H28O6/c1-3-5-6-7-8-22(25(28)29-4-2)31-19-13-14-20-23(15-19)30-16-21(24(20)27)17-9-11-18(26)12-10-17/h9-16,22,26H,3-8H2,1-2H3/t22-/m0/s1
InChIKey LLGLMQUTINCRKE-QFIPXVFZSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqeNAABCfPI
Name 7-O-ALPHA-CARBOXYHEPTYLDAIDZEIN-ETHYLESTER
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-3-5-6-7-8-22(25(28)29-4-2)31-19-13-14-20-23(15-19)30-16-21(24(20)27)17-9-11-18(26)12-10-17/h9-16,22,26H,3-8H2,1-2H3/t22-/m0/s1
InChIKey LLGLMQUTINCRKE-QFIPXVFZSA-N
Literature Reference Author G.Y.GAO,D.J.LI,W.M.KEUNG
Literature Reference Citation J.MED.CHEM.,44,3320(2001)
Literature Reference DOI 10.1021/jm0101390
Molecular Weight 424.494 g/mol
Sample ID 40889
Solvent DMSO-D6