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

*Links on SpectraBase are not permalinks.
DIGOXIN,(3-BETA-O-TRI-BETA-D-DIGITOXOSID,5-BETA-H,12-BETA-OH)
SpectraBase Compound ID FP0MeTVE5tO
InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20+,21+,23-,24+,25-,26-,27+,28+,29-,30-,31-,33-,34+,35-,36-,37+,38+,39+,40+,41+/m1/s1
InChIKey LTMHDMANZUZIPE-YGVAXWAISA-N
Mol Weight 780.9 g/mol
Molecular Formula C41H64O14
Exact Mass 780.429607 g/mol
Enantiomer InChIKey LTMHDMANZUZIPE-HNSYSJBGSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO
Title Journal or Book Year
Carbon- 13 n.m.r. spectra of cardenolide glycosides. Configuration of the 11,12-epoxide in cerbertin Journal of the Chemical Society, Perkin Transactions 1 1981

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.