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sodium [(E)-2-[2-[(3,4-dihydroxyphenyl)-[4-(2-dimethylaminoethyl)imidazol-1-yl]methyl]-1,3-benzodioxol-5-yl]ethenyl] sulfate

View entire compound with spectra: 1 NMR

sodium [(E)-2-[2-[(3,4-dihydroxyphenyl)-[4-(2-dimethylaminoethyl)imidazol-1-yl]methyl]-1,3-benzodioxol-5-yl]ethenyl] sulfate
SpectraBase Compound ID IVRjFxVAcID
InChI InChI=1S/C23H25N3O8S.Na/c1-25(2)9-7-17-13-26(14-24-17)22(16-4-5-18(27)19(28)12-16)23-33-20-6-3-15(11-21(20)34-23)8-10-32-35(29,30)31;/h3-6,8,10-14,22-23,27-28H,7,9H2,1-2H3,(H,29,30,31);/q;+1/p-1/b10-8+;
InChIKey GRGCVQDWSDWNMW-VRTOBVRTSA-M
Mol Weight 525.51 g/mol
Molecular Formula C23H24N3NaO8S
Exact Mass 525.11818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IcYEoB6xbo
Name sodium [(E)-2-[2-[(3,4-dihydroxyphenyl)-[4-(2-dimethylaminoethyl)imidazol-1-yl]methyl]-1,3-benzodioxol-5-yl]ethenyl] sulfate
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N3NaO8S
InChI InChI=1S/C23H25N3O8S.Na/c1-25(2)9-7-17-13-26(14-24-17)22(16-4-5-18(27)19(28)12-16)23-33-20-6-3-15(11-21(20)34-23)8-10-32-35(29,30)31;/h3-6,8,10-14,22-23,27-28H,7,9H2,1-2H3,(H,29,30,31);/q;+1/p-1/b10-8+;
InChIKey GRGCVQDWSDWNMW-VRTOBVRTSA-M
Literature Reference Author Y.H.CHANG,D.SHIN,Z.NA,H.S.LEE,D.D.KIM,K.B.OH,J.SHIN
Literature Reference Citation J.NAT.PROD.,71,779(2008)
Literature Reference DOI 10.1021/np078015z
Molecular Weight 525.509 g/mol
Sample ID 28220
Solvent CD3OD