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DEACETYLCERBERTIN,(3-BETA-O-ALPHA-L-THEVETOSID,5-BETA-H,11-ALPHA,12-ALPHA-EPOXY)
SpectraBase Compound ID Ii9EyfKhhc9
InChI InChI=1S/C30H44O9/c1-14-22(32)25(35-4)23(33)27(37-14)38-17-7-9-28(2)16(12-17)5-6-19-21(28)24-26(39-24)29(3)18(8-10-30(19,29)34)15-11-20(31)36-13-15/h11,14,16-19,21-27,32-34H,5-10,12-13H2,1-4H3/t14-,16-,17+,18-,19-,21-,22-,23-,24+,25+,26+,27-,28+,29+,30+/m1/s1
InChIKey IMZJQCFFLONCLT-SFMBNSNHSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H44O9
Exact Mass 548.298533 g/mol
Enantiomer InChIKey IMZJQCFFLONCLT-PKBCOLOUSA-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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