For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6A-DEOXY-5A,6A-DIDEHYDRO-2A,2B,2C,2D,2E,2F,3A,3B,3C,3D,3E,3F-DODECA-O-METHYL-6B,6C,6D,6E,6F-PENTA-O-(4-HYDROXYMETHYLPHENYL)-ALPHA-CYCLODEXTRIN
SpectraBase Compound ID Gh1njlS1eUj
InChI InChI=1S/C83H112O34/c1-44-60-66(89-2)72(95-8)78(106-44)113-61-55(39-101-50-24-14-45(34-84)15-25-50)108-80(74(97-10)67(61)90-3)115-63-57(41-103-52-28-18-47(36-86)19-29-52)110-82(76(99-12)69(63)92-5)117-65-59(43-105-54-32-22-49(38-88)23-33-54)111-83(77(100-13)71(65)94-7)116-64-58(42-104-53-30-20-48(37-87)21-31-53)109-81(75(98-11)70(64)93-6)114-62-56(40-102-51-26-16-46(35-85)17-27-51)107-79(112-60)73(96-9)68(62)91-4/h14-33,55-88H,1,34-43H2,2-13H3/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-/m0/s1
InChIKey PACGQYJDGJAGRW-CRDHUGQRSA-N
Mol Weight 1653.8 g/mol
Molecular Formula C83H112O34
Exact Mass 1652.703501 g/mol
Enantiomer InChIKey PACGQYJDGJAGRW-KURNJYOBSA-N
Copyright Copyright © 2016-2024 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

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.