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

*Links on SpectraBase are not permalinks.
12-BENZYLOXY-3-HYDROXY-7-(2-METHOXYETHOXYMETHOXY)-CHOLANOIC-ACID
SpectraBase Compound ID 5UC8bDO1Kk
InChI InChI=1S/C35H54O7/c1-23(10-13-32(37)38)27-11-12-28-33-29(20-31(35(27,28)3)41-21-24-8-6-5-7-9-24)34(2)15-14-26(36)18-25(34)19-30(33)42-22-40-17-16-39-4/h5-9,23,25-31,33,36H,10-22H2,1-4H3,(H,37,38)/t23?,25-,26-,27+,28+,29+,30-,31+,33+,34+,35-/m1/s1
InChIKey QGTIESFFAHVASH-MOJVXERTSA-N
Mol Weight 586.8 g/mol
Molecular Formula C35H54O7
Exact Mass 586.386954 g/mol
Enantiomer InChIKey QGTIESFFAHVASH-QMPICUNXSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Thermodynamically-controlled cyclisation and interconversion of oligocholates: metal ion templated ‘living’ macrolactonisation Journal of the Chemical Society, Perkin Transactions 1 1997

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.