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(5R,6E,8R,9R,11R,12Z,14Z,16E)-5,8,11,18-TETRAHYDROXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID
SpectraBase Compound ID vey6H2cnun
InChI InChI=1S/C19H31O10P/c1-19(25,12-11-15(21)9-7-10-18(23)24)17(29-30(26,27)28)14-16(22)8-5-3-2-4-6-13-20/h2-6,8,11-12,15-17,20-22,25H,7,9-10,13-14H2,1H3,(H,23,24)(H2,26,27,28)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17-,19+/m1/s1
InChIKey HIEWFMSQPHHSEB-RNCGOKJLSA-N
Mol Weight 450.42 g/mol
Molecular Formula C19H31O10P
Exact Mass 450.165484 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KRTZgRoWCk
Name (5R,6E,8R,9R,11R,12Z,14Z,16E)-5,8,11,18-TETRAHYDROXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29O10P
InChI InChI=1S/C19H31O10P/c1-19(25,12-11-15(21)9-7-10-18(23)24)17(29-30(26,27)28)14-16(22)8-5-3-2-4-6-13-20/h2-6,8,11-12,15-17,20-22,25H,7,9-10,13-14H2,1H3,(H,23,24)(H2,26,27,28)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17-,19+/m1/s1
InChIKey HIEWFMSQPHHSEB-RNCGOKJLSA-N
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 UWSI35630