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(2E,4Z,6Z,8R,10R)-11-METHYL-2,4,6-DODECATRIENE-1,8,10,11-TETRAOL-10-PHOSPHATE-SODIUM-SALT
SpectraBase Compound ID 3eHshGsxm4S
InChI InChI=1S/C13H23O7P.Na/c1-13(2,16)12(20-21(17,18)19)10-11(15)8-6-4-3-5-7-9-14;/h3-8,11-12,14-16H,9-10H2,1-2H3,(H2,17,18,19);/q;+1/p-1/b4-3-,7-5+,8-6-;/t11-,12+;/m0./s1
InChIKey XIFGYZGLHTXYPI-KKSKZTIASA-M
Mol Weight 344.28 g/mol
Molecular Formula C13H22NaO7P
Exact Mass 344.100084 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dc17Ke5XMLf
Name (2E,4Z,6Z,8R,10R)-11-METHYL-2,4,6-DODECATRIENE-1,8,10,11-TETRAOL-10-PHOSPHATE-SODIUM-SALT
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21NaO7P
InChI InChI=1S/C13H23O7P.Na/c1-13(2,16)12(20-21(17,18)19)10-11(15)8-6-4-3-5-7-9-14;/h3-8,11-12,14-16H,9-10H2,1-2H3,(H2,17,18,19);/q;+1/p-1/b4-3-,7-5+,8-6-;/t11-,12+;/m0./s1
InChIKey XIFGYZGLHTXYPI-KKSKZTIASA-M
Literature Reference Author S.B.BUCK,C.HARDOUIN,S.ICHIKAWA,D.R.SOENEN,C.M.GAUSS,I.HWANG, M.R.SWINGLE,K.M.BONN
Literature Reference Citation J.AM.CHEM.SOC.,125,15694(2003)
Literature Reference DOI 10.1021/ja038672n
Solvent D2O
Source File Reference UWSI35636