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(3S,5R,6E,8R,9R,11R,12Z,14Z,16E)-3-ETHYLTHIO-5,8,11,18-TETRAHYDROXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID

View entire compound with spectra: 1 NMR

(3S,5R,6E,8R,9R,11R,12Z,14Z,16E)-3-ETHYLTHIO-5,8,11,18-TETRAHYDROXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID
SpectraBase Compound ID 7YlQ3YpL9zj
InChI InChI=1S/C21H35O10PS/c1-3-33-18(15-20(25)26)13-17(24)10-11-21(2,27)19(31-32(28,29)30)14-16(23)9-7-5-4-6-8-12-22/h4-11,16-19,22-24,27H,3,12-15H2,1-2H3,(H,25,26)(H2,28,29,30)/b5-4-,8-6+,9-7-,11-10+/t16-,17-,18-,19+,21-/m0/s1
InChIKey XQRFCRCZRGOFJU-DRMQVJGRSA-N
Mol Weight 510.5 g/mol
Molecular Formula C21H35O10PS
Exact Mass 510.168855 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fy4jimi481P
Name (3S,5R,6E,8R,9R,11R,12Z,14Z,16E)-3-ETHYLTHIO-5,8,11,18-TETRAHYDROXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33O10PS
InChI InChI=1S/C21H35O10PS/c1-3-33-18(15-20(25)26)13-17(24)10-11-21(2,27)19(31-32(28,29)30)14-16(23)9-7-5-4-6-8-12-22/h4-11,16-19,22-24,27H,3,12-15H2,1-2H3,(H,25,26)(H2,28,29,30)/b5-4-,8-6+,9-7-,11-10+/t16-,17-,18-,19+,21-/m0/s1
InChIKey XQRFCRCZRGOFJU-DRMQVJGRSA-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 UWSI35631