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4'-ACETYLCERBERTIN,(3-BETA-O-ALPHA-L-2',4'-OAC-THEVETOSID,5-BETA-H,11-ALPHA,12-ALPHA-EPOXY)
SpectraBase Compound ID GqJjGehM1gb
InChI InChI=1S/C34H48O11/c1-16-26(42-17(2)35)28(39-6)29(43-18(3)36)31(41-16)44-21-9-11-32(4)20(14-21)7-8-23-25(32)27-30(45-27)33(5)22(10-12-34(23,33)38)19-13-24(37)40-15-19/h13,16,20-23,25-31,38H,7-12,14-15H2,1-6H3/t16-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31+,32-,33-,34-/m0/s1
InChIKey FKZIQSRDBCFVJD-GEJRZBFYSA-N
Mol Weight 632.7 g/mol
Molecular Formula C34H48O11
Exact Mass 632.319662 g/mol
Enantiomer InChIKey FKZIQSRDBCFVJD-CSZUVGQESA-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
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