DIGITOXIN,(3-BETA-O-TRI-BETA-D-DIGITOXOSID,5-BETA-H)
Compound with spectra: 1 NMR
| 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 |
| 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.