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SODIUM-(E)-7-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-HEPT-5-ENE-3-R-SULFONATE

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SODIUM-(E)-7-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-HEPT-5-ENE-3-R-SULFONATE
SpectraBase Compound ID FgYShRUOfam
InChI InChI=1S/C19H22O6S.Na/c20-16-9-4-14(5-10-16)6-13-18(26(23,24)25)2-1-3-19(22)15-7-11-17(21)12-8-15;/h1,3-5,7-12,18-22H,2,6,13H2,(H,23,24,25);/q;+1/p-1/b3-1+;/t18-,19?;/m1./s1
InChIKey NSQBBQFSAFOCML-LEIHEEOOSA-M
Mol Weight 400.42 g/mol
Molecular Formula C19H21NaO6S
Exact Mass 400.095654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iuYdCgEbvL
Name SODIUM-(E)-7-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-HEPT-5-ENE-3-S-SULFONATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21NaO6S
InChI InChI=1S/C19H22O6S.Na/c20-16-9-4-14(5-10-16)6-13-18(26(23,24)25)2-1-3-19(22)15-7-11-17(21)12-8-15;/h1,3-5,7-12,18-22H,2,6,13H2,(H,23,24,25);/q;+1/p-1/b3-1+;/t18-,19?;/m1./s1
InChIKey NSQBBQFSAFOCML-LEIHEEOOSA-M
Literature Reference Author Q.F.TAO,Y.XU,R.Y.Y.LAM,B.SCHNEIDER,H.DOU,P.S.LEUNG,S.Y.SHI,C .X.ZHOU,L.X.YANG,R.P
Literature Reference Citation J.NAT.PROD.,71,12(2008)
Literature Reference DOI 10.1021/np070114p
Molecular Weight 400.422 g/mol
Sample ID 27066
Solvent CD3OD