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1,5,6-TRI-O-BENZOYL-2,3-O-ISOPROPYLIDENE-MYO-INOSITOL
SpectraBase Compound ID H1TaALZGTaj
InChI InChI=1S/C30H28O9/c1-30(2)38-23-21(31)22(35-27(32)18-12-6-3-7-13-18)24(36-28(33)19-14-8-4-9-15-19)25(26(23)39-30)37-29(34)20-16-10-5-11-17-20/h3-17,21-26,31H,1-2H3/t21-,22-,23+,24+,25-,26+/m1/s1
InChIKey UMLVHHZBVIDJAN-RMLCQDLPSA-N
Mol Weight 532.55 g/mol
Molecular Formula C30H28O9
Exact Mass 532.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GeJGA6MJ2l
Name 1,5,6-TRI-O-BENZOYL-2,3-O-ISOPROPYLIDENE-MYO-INOSITOL
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28O9
InChI InChI=1S/C30H28O9/c1-30(2)38-23-21(31)22(35-27(32)18-12-6-3-7-13-18)24(36-28(33)19-14-8-4-9-15-19)25(26(23)39-30)37-29(34)20-16-10-5-11-17-20/h3-17,21-26,31H,1-2H3/t21-,22-,23+,24+,25-,26+/m1/s1
InChIKey UMLVHHZBVIDJAN-RMLCQDLPSA-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 532.547 g/mol
Solvent CD3OD
Source File Reference UWVN23475