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(2'-S,3'-S)-1-D-3,6-DI-O-BENZYL-4,5-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-1,2-O-[(2''-OXO)-PROPANE-1'',3''-DIYL]-MYO-INOSITOL

View entire compound with spectra: 1 NMR

(2'-S,3'-S)-1-D-3,6-DI-O-BENZYL-4,5-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-1,2-O-[(2''-OXO)-PROPANE-1'',3''-DIYL]-MYO-INOSITOL
SpectraBase Compound ID 29mhm26fzKh
InChI InChI=1S/C29H36O9/c1-28(31-3)29(2,32-4)38-27-25(34-16-20-13-9-6-10-14-20)23-22(35-17-21(30)18-36-23)24(26(27)37-28)33-15-19-11-7-5-8-12-19/h5-14,22-27H,15-18H2,1-4H3/t22-,23+,24-,25-,26+,27+,28-,29-/m0/s1
InChIKey VJDRTLYLYUIPMM-SHIPRYBZSA-N
Mol Weight 528.6 g/mol
Molecular Formula C29H36O9
Exact Mass 528.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOBuHmY5Okq
Name (2'-S,3'-S)-1-D-3,6-DI-O-BENZYL-4,5-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-1,2-O-[(2''-OXO)-PROPANE-1'',3''-DIYL]-MYO-INOSITOL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O9
InChI InChI=1S/C29H36O9/c1-28(31-3)29(2,32-4)38-27-25(34-16-20-13-9-6-10-14-20)23-22(35-17-21(30)18-36-23)24(26(27)37-28)33-15-19-11-7-5-8-12-19/h5-14,22-27H,15-18H2,1-4H3/t22-,23+,24-,25-,26+,27+,28-,29-/m0/s1
InChIKey VJDRTLYLYUIPMM-SHIPRYBZSA-N
Literature Reference Author A.M.RILEY,V.CORREA,M.F.MAHON,C.W.TAYLOR,B.V.L.POTTER
Literature Reference Citation J.MED.CHEM.,44,2108(2001)
Literature Reference DOI 10.1021/jm0005499
Molecular Weight 528.599 g/mol
Sample ID 44547
Solvent CDCl3