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2,3,6-TRI-O-BENZOYL-MYO-INOSITOL-1,4,5-TRIS-(DIETHYLPHOSPHATE)
SpectraBase Compound ID L7O0h4bTjgK
InChI InChI=1S/C39H51O18P3/c1-7-46-58(43,47-8-2)55-34-31(52-37(40)28-22-16-13-17-23-28)32(53-38(41)29-24-18-14-19-25-29)35(56-59(44,48-9-3)49-10-4)36(57-60(45,50-11-5)51-12-6)33(34)54-39(42)30-26-20-15-21-27-30/h13-27,31-36H,7-12H2,1-6H3/t31-,32+,33+,34-,35-,36-/m0/s1
InChIKey FRDVVMHJNBQIPK-VBBYNRSSSA-N
Mol Weight 900.7 g/mol
Molecular Formula C39H51O18P3
Exact Mass 900.228826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53R96lWgsK1
Name 2,3,6-TRI-O-BENZOYL-MYO-INOSITOL-1,4,5-TRIS-(DIETHYLPHOSPHATE)
Compound Number 9H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H51O18P3
InChI InChI=1S/C39H51O18P3/c1-7-46-58(43,47-8-2)55-34-31(52-37(40)28-22-16-13-17-23-28)32(53-38(41)29-24-18-14-19-25-29)35(56-59(44,48-9-3)49-10-4)36(57-60(45,50-11-5)51-12-6)33(34)54-39(42)30-26-20-15-21-27-30/h13-27,31-36H,7-12H2,1-6H3/t31-,32+,33+,34-,35-,36-/m0/s1
InChIKey FRDVVMHJNBQIPK-VBBYNRSSSA-N
Literature Reference Author S.K.CHUNG,Y.U.KWON,J.H.SHIN,Y.T.CHANG,C.LEE,B.G.SHIN,K.C.KIM ,M.J.KIM
Literature Reference Citation J.ORG.CHEM.,67,5626(2002)
Literature Reference DOI 10.1021/jo0257694
Molecular Weight 900.744 g/mol
Solvent CDCl3
Source File Reference UWVN23494