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(D)-1,2:4,5-DI-O-CYCLOHEXYLIDENE-3-[(2S,4R,5S)-3,4-DIMETHYL-5-PHENYL-2-SULFIDE-1,3,2-OXAZAPHOSPHOLIDINYL]-MYO-INOSITOL
SpectraBase Compound ID 25e8lMjTQ3h
InChI InChI=1S/C28H40NO7PS/c1-18-21(19-12-6-3-7-13-19)35-37(38,29(18)2)36-26-24-22(31-27(33-24)14-8-4-9-15-27)20(30)23-25(26)34-28(32-23)16-10-5-11-17-28/h3,6-7,12-13,18,20-26,30H,4-5,8-11,14-17H2,1-2H3/t18-,20-,21-,22-,23+,24-,25-,26-,37?/m1/s1
InChIKey LXRKCPBDYNWEIJ-KMLYNKTBSA-N
Mol Weight 565.7 g/mol
Molecular Formula C28H40NO7PS
Exact Mass 565.226311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IThmlj5fCbp
Name (D)-1,2:4,5-DI-O-CYCLOHEXYLIDENE-3-[(2S,4R,5S)-3,4-DIMETHYL-5-PHENYL-2-SULFIDE-1,3,2-OXAZAPHOSPHOLIDINYL]-MYO-INOSITOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40NO7PS
InChI InChI=1S/C28H40NO7PS/c1-18-21(19-12-6-3-7-13-19)35-37(38,29(18)2)36-26-24-22(31-27(33-24)14-8-4-9-15-27)20(30)23-25(26)34-28(32-23)16-10-5-11-17-28/h3,6-7,12-13,18,20-26,30H,4-5,8-11,14-17H2,1-2H3/t18-,20-,21-,22-,23+,24-,25-,26-,37?/m1/s1
InChIKey LXRKCPBDYNWEIJ-KMLYNKTBSA-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
Molecular Weight 565.662 g/mol
Sample ID 64264
Solvent CDCl3