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TRANS-2-(3,4,5-TRIMETHOXYBENZAL)-3-(ALPHA-HYDROXY-3,4-METHYLENEDIOXYBENZYL)-BUTANOLIDE
SpectraBase Compound ID DXLd9GtNr1D
InChI InChI=1S/C22H22O8/c1-25-18-7-12(8-19(26-2)21(18)27-3)6-14-15(10-28-22(14)24)20(23)13-4-5-16-17(9-13)30-11-29-16/h4-9,15,20,23H,10-11H2,1-3H3/b14-6-/t15-,20-/m0/s1
InChIKey KLWQXAUGGZISMO-NSZDCLSGSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qkUjhiUjMf
Name TRANS-2-(3,4,5-TRIMETHOXYBENZAL)-3-(ALPHA-HYDROXY-3,4-METHYLENEDIOXYBENZYL)-BUTANOLIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-18-7-12(8-19(26-2)21(18)27-3)6-14-15(10-28-22(14)24)20(23)13-4-5-16-17(9-13)30-11-29-16/h4-9,15,20,23H,10-11H2,1-3H3/b14-6-/t15-,20-/m0/s1
InChIKey KLWQXAUGGZISMO-NSZDCLSGSA-N
Literature Reference Author B.BOTTA,G.DELLEMONACHE,P.RICCIARDI,A.VITALI,V.VINCIGUERRA,D. MISITI,J.P.KUTNEY,N.
Literature Reference Citation HETEROCYCLES,43,2443(1996)
Literature Reference DOI 10.3987/COM-96-7568
Molecular Weight 414.412 g/mol
Solvent Unknown
Source File Reference UWCP6428