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7-O-OMEGA-CARBOXYBUTYLDAIDZEIN-ETHYLESTER
SpectraBase Compound ID B5LRc9dxb5b
InChI InChI=1S/C22H22O6/c1-2-26-21(24)5-3-4-12-27-17-10-11-18-20(13-17)28-14-19(22(18)25)15-6-8-16(23)9-7-15/h6-11,13-14,23H,2-5,12H2,1H3
InChIKey VQAISFMOBWOMLI-UHFFFAOYSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EE2SkIJQOh
Name 7-O-OMEGA-CARBOXYBUTYLDAIDZEIN-ETHYLESTER
Compound Number 2 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-2-26-21(24)5-3-4-12-27-17-10-11-18-20(13-17)28-14-19(22(18)25)15-6-8-16(23)9-7-15/h6-11,13-14,23H,2-5,12H2,1H3
InChIKey VQAISFMOBWOMLI-UHFFFAOYSA-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 382.413 g/mol
Sample ID 40877
Solvent DMSO-D6