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(7S,8R)-5-keto-6-methylene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
SpectraBase Compound ID 86KuDzLDZ28
InChI InChI=1S/C22H20O8/c1-10-18(22(24)25)19(11-5-16(26-2)21(28-4)17(6-11)27-3)12-7-14-15(30-9-29-14)8-13(12)20(10)23/h5-8,18-19H,1,9H2,2-4H3,(H,24,25)/t18-,19-/m1/s1
InChIKey HLSXUNBUCPHTDA-RTBURBONSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kg99oTQZzzG
Name (7S,8R)-5-keto-6-methylene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
Compound Number 78
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-10-18(22(24)25)19(11-5-16(26-2)21(28-4)17(6-11)27-3)12-7-14-15(30-9-29-14)8-13(12)20(10)23/h5-8,18-19H,1,9H2,2-4H3,(H,24,25)/t18-,19-/m1/s1
InChIKey HLSXUNBUCPHTDA-RTBURBONSA-N
Literature Reference Author A.SANFELICIANO,J.M.M.DELCORRAL,M.GORDALIZA,M.A.CASTRO
Literature Reference Citation MAGN.RES.CHEM.,31,868(1993)
Literature Reference DOI 10.1002/mrc.1260310915
Molecular Weight 412.396 g/mol
Solvent CDCl3
Source File Reference UWPR126