John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12kmgnucgPL SpectraBase Spectrum ID=9WH065n3Z6F

(accessed ).
1,2,6-TRI-O-BENZOYL-MYO-INOSITOL
SpectraBase Compound ID 12kmgnucgPL
InChI InChI=1S/C27H24O9/c28-19-20(29)22(34-25(31)16-10-4-1-5-11-16)24(36-27(33)18-14-8-3-9-15-18)23(21(19)30)35-26(32)17-12-6-2-7-13-17/h1-15,19-24,28-30H/t19-,20-,21+,22-,23-,24-/m0/s1
InChIKey DYZQMGLMEDWROY-MJILPEOWSA-N
Mol Weight 492.48 g/mol
Molecular Formula C27H24O9
Exact Mass 492.142033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WH065n3Z6F
Name 1,2,6-TRI-O-BENZOYL-MYO-INOSITOL
Compound Number 6A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O9
InChI InChI=1S/C27H24O9/c28-19-20(29)22(34-25(31)16-10-4-1-5-11-16)24(36-27(33)18-14-8-3-9-15-18)23(21(19)30)35-26(32)17-12-6-2-7-13-17/h1-15,19-24,28-30H/t19-,20-,21+,22-,23-,24-/m0/s1
InChIKey DYZQMGLMEDWROY-MJILPEOWSA-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 492.482 g/mol
Solvent CD3OD
Source File Reference UWVN23480
SpectraBase Batch ID DqfSNdv54g6