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#8;1D-O-(1,2-DI-O-BUTANOYL-SN-(2S)-GLYCEROL-3-O-METHYLPHOSPHONO)-3-(DIMETHYLMETHYLENEPHOSPHONATE)-2,4,5,6-O-TETRAKIS-(METHOXYMETHYLENE)-MYO-INOSITOL

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#8;1D-O-(1,2-DI-O-BUTANOYL-SN-(2S)-GLYCEROL-3-O-METHYLPHOSPHONO)-3-(DIMETHYLMETHYLENEPHOSPHONATE)-2,4,5,6-O-TETRAKIS-(METHOXYMETHYLENE)-MYO-INOSITOL
SpectraBase Compound ID 6ZVduvxhmZs
InChI InChI=1S/C29H56O20P2/c1-10-12-22(30)41-14-21(48-23(31)13-11-2)15-47-51(33,40-9)49-29-27(44-18-36-5)25(43-17-35-4)24(42-16-34-3)26(28(29)45-19-37-6)46-20-50(32,38-7)39-8/h21,24-29H,10-20H2,1-9H3/t21-,24+,25+,26-,27-,28-,29+,51?/m1/s1
InChIKey LITTUKJORFPQNS-WTTLUXMKSA-N
Mol Weight 786.7 g/mol
Molecular Formula C29H56O20P2
Exact Mass 786.284018 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHCLO750zaC
Name #8;1D-O-(1,2-DI-O-BUTANOYL-SN-(2S)-GLYCEROL-3-O-METHYLPHOSPHONO)-3-(DIMETHYLMETHYLENEPHOSPHONATE)-2,4,5,6-O-TETRAKIS-(METHOXYMETHYLENE)-MYO-INOSITOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H56O20P2
InChI InChI=1S/C29H56O20P2/c1-10-12-22(30)41-14-21(48-23(31)13-11-2)15-47-51(33,40-9)49-29-27(44-18-36-5)25(43-17-35-4)24(42-16-34-3)26(28(29)45-19-37-6)46-20-50(32,38-7)39-8/h21,24-29H,10-20H2,1-9H3/t21-,24+,25+,26-,27-,28-,29+,51?/m1/s1
InChIKey LITTUKJORFPQNS-WTTLUXMKSA-N
Literature Reference Author J.GAJEWIAK,Y.XU,S.A.LEE,T.G.KUTATELADZE,G.D.PRESTWICH
Literature Reference Citation ORG.LETTERS,8,2811(2006)
Literature Reference DOI 10.1021/ol060903i
Solvent CDCl3
Source File Reference UWLU59800