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(3S,5R,6E,8R,9R,11R,12Z,14Z,16E)-5,8,11,18-TETRAHYDROXY-3-METHOXY-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)-5,8,11,18-TETRAHYDROXY-3-METHOXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID
SpectraBase Compound ID 326EJbbuDyi
InChI InChI=1S/C20H33O11P/c1-20(26,10-9-16(23)12-17(30-2)14-19(24)25)18(31-32(27,28)29)13-15(22)8-6-4-3-5-7-11-21/h3-10,15-18,21-23,26H,11-14H2,1-2H3,(H,24,25)(H2,27,28,29)/b4-3-,7-5+,8-6-,10-9+/t15-,16-,17-,18+,20-/m0/s1
InChIKey QIVCCGFFDMXLAN-XWKYLSDQSA-N
Mol Weight 480.4 g/mol
Molecular Formula C20H33O11P
Exact Mass 480.176049 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GorulbeaPMH
Name (3S,5R,6E,8R,9R,11R,12Z,14Z,16E)-5,8,11,18-TETRAHYDROXY-3-METHOXY-8-METHYL-9-PHOSPHONOOXY-OCTADECA-6,12,14,16-TETRAENOIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31O11P
InChI InChI=1S/C20H33O11P/c1-20(26,10-9-16(23)12-17(30-2)14-19(24)25)18(31-32(27,28)29)13-15(22)8-6-4-3-5-7-11-21/h3-10,15-18,21-23,26H,11-14H2,1-2H3,(H,24,25)(H2,27,28,29)/b4-3-,7-5+,8-6-,10-9+/t15-,16-,17-,18+,20-/m0/s1
InChIKey QIVCCGFFDMXLAN-XWKYLSDQSA-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 UWSI35632