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HEXAKIS-[2,3-DI-O-METHYL-6-O-(4-HYDROXYMETHYLPHENYL)]-ALPHA-CYCLODEXTRIN;2A,2B,2C,2D,2F,3A,3B,3D,3E,3F-DODECA-O-METHYL-6A,6B,6C,6D,
SpectraBase Compound ID 8JsWqh29Pgu
InChI InChI=1S/C90H120O36/c1-97-73-67-61(43-109-55-25-13-49(37-91)14-26-55)115-85(79(73)103-7)122-68-62(44-110-56-27-15-50(38-92)16-28-56)117-87(81(105-9)74(68)98-2)124-70-64(46-112-58-31-19-52(40-94)20-32-58)119-89(83(107-11)76(70)100-4)126-72-66(48-114-60-35-23-54(42-96)24-36-60)120-90(84(108-12)78(72)102-6)125-71-65(47-113-59-33-21-53(41-95)22-34-59)118-88(82(106-10)77(71)101-5)123-69-63(45-111-57-29-17-51(39-93)18-30-57)116-86(121-67)80(104-8)75(69)99-3/h13-36,61-96H,37-48H2,1-12H3/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m1/s1
InChIKey POKZSQMXZJJHRF-HTSITQPHSA-N
Mol Weight 1777.9 g/mol
Molecular Formula C90H120O36
Exact Mass 1776.75593 g/mol
Enantiomer InChIKey POKZSQMXZJJHRF-GAIAQCDBSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
The synthesis and structural mapping of unsymmetrical chemically modified α-cyclodextrins by high-field nuclear magnetic resonance spectroscopy J. Chem. Soc., Perkin Trans. 2 1995

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