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(1S,2R)-(2-METHYLAMINO-1-PHENYLPROPYL)-1-MYO-INOSITOL-(R(P))-[(16)O,(17)O]-THIOPHOSPHATE
SpectraBase Compound ID 3Eci6fiWPOf
InChI InChI=1S/C16H26NO8PS/c1-8(17-2)15(9-6-4-3-5-7-9)24-26(23,27)25-16-13(21)11(19)10(18)12(20)14(16)22/h3-8,10-22H,1-2H3,(H,23,27)/t8-,10-,11-,12+,13+,14+,15+,16-,26?/m1/s1/i23+1
InChIKey JDTBUJBIHABTFF-WLUZUBCXSA-N
Mol Weight 424.42 g/mol
Molecular Formula C16H26NO717OPS
Exact Mass 424.115892 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gJM4x4Kwau
Name (1S,2R)-(2-METHYLAMINO-1-PHENYLPROPYL)-1-MYO-INOSITOL-(R(P))-[(16)O,(17)O]-THIOPHOSPHATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26NO717OPS
InChI InChI=1S/C16H26NO8PS/c1-8(17-2)15(9-6-4-3-5-7-9)24-26(23,27)25-16-13(21)11(19)10(18)12(20)14(16)22/h3-8,10-22H,1-2H3,(H,23,27)/t8-,10-,11-,12+,13+,14+,15+,16-,26?/m1/s1/i23+1
InChIKey JDTBUJBIHABTFF-WLUZUBCXSA-N
Literature Reference Author C.M.J.FAUROUX,M.LEE,P.M.CULLIS,K.T.DOUGLAS,M.G.GORE,S.FREEMA N
Literature Reference Citation J.MED.CHEM.,45,1363(2002)
Literature Reference DOI 10.1021/jm011056m
Solvent D2O
Source File Reference UWLU64267