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#1A;(1E,3R,4R,6R,7Z,9Z,11E,5'S,6'S)-1-(5',6'-DIHYDRO-5'-HYDROXY-2'-OXO-2H-PYRAN-6'-YL)-3,6,13-TRIHYDROXY-3-METHYL-1,7,9,11-TRIDECATETRAEN-4-YL-SODIUM-PHOSPHATE

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#1A;(1E,3R,4R,6R,7Z,9Z,11E,5'S,6'S)-1-(5',6'-DIHYDRO-5'-HYDROXY-2'-OXO-2H-PYRAN-6'-YL)-3,6,13-TRIHYDROXY-3-METHYL-1,7,9,11-TRIDECATETRAEN-4-YL-SODIUM-PHOSPHATE
SpectraBase Compound ID FMXeb6df0Y
InChI InChI=1S/C19H27O10P.Na/c1-19(24,11-10-16-15(22)8-9-18(23)28-16)17(29-30(25,26)27)13-14(21)7-5-3-2-4-6-12-20;/h2-11,14-17,20-22,24H,12-13H2,1H3,(H2,25,26,27);/q;+1/p-1/b3-2-,6-4+,7-5-,11-10+;/t14-,15-,16-,17+,19-;/m0./s1
InChIKey OXODQSMXRJNNFN-LXQXZUBNSA-M
Mol Weight 468.37 g/mol
Molecular Formula C19H26NaO10P
Exact Mass 468.116128 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNG1II70qnw
Name #1A;(1E,3R,4R,6R,7Z,9Z,11E,5'S,6'S)-1-(5',6'-DIHYDRO-5'-HYDROXY-2'-OXO-2H-PYRAN-6'-YL)-3,6,13-TRIHYDROXY-3-METHYL-1,7,9,11-TRIDECATETRAEN-4-YL-SODIUM-PHOSPHATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25NaO10P
InChI InChI=1S/C19H27O10P.Na/c1-19(24,11-10-16-15(22)8-9-18(23)28-16)17(29-30(25,26)27)13-14(21)7-5-3-2-4-6-12-20;/h2-11,14-17,20-22,24H,12-13H2,1H3,(H2,25,26,27);/q;+1/p-1/b3-2-,6-4+,7-5-,11-10+;/t14-,15-,16-,17+,19-;/m0./s1
InChIKey OXODQSMXRJNNFN-LXQXZUBNSA-M
Literature Reference Author T.TAKEUCHI,K.KURAMOCHI,S.KOBAYASHI,F.SUGAWARA
Literature Reference Citation ORG.LETTERS,8,5307(2006)
Literature Reference DOI 10.1021/ol062111u
Solvent D2O
Source File Reference UWLU62027