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

*Links on SpectraBase are not permalinks.

DIGITOXIN,(3-BETA-O-TRI-BETA-D-DIGITOXOSID,5-BETA-H)

Compound with spectra: 1 NMR

DIGITOXIN,(3-BETA-O-TRI-BETA-D-DIGITOXOSID,5-BETA-H)
SpectraBase Compound ID BUz6UGKXgXO
InChI InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35-,36-,37-,38+,39+,40-,41+/m1/s1
InChIKey WDJUZGPOPHTGOT-ALYVKHCYSA-N
Mol Weight 764.9 g/mol
Molecular Formula C41H64O13
Exact Mass 764.434692 g/mol
Enantiomer InChIKey WDJUZGPOPHTGOT-MHPQVTHGSA-N

View Spectrum of DIGITOXIN,(3-BETA-O-TRI-BETA-D-DIGITOXOSID,5-BETA-H)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO
Digitoxin
Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
No Name
Digitoxin
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

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.

Other Resources
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.