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3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN
SpectraBase Compound ID 4rF6STstlSB
InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
InChIKey LPMXVESGRSUGHW-ORKYRKOFSA-N
Mol Weight 584.7 g/mol
Molecular Formula C29H44O12
Exact Mass 584.283277 g/mol
Enantiomer InChIKey LPMXVESGRSUGHW-BEFNXITJSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO=1:2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO=1:2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO=1:2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO=1:2
  • 3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN,CONFORMER-#1
  • 3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN,CONFORMER-#2
Title Journal or Book Year
Conformational analysis and complete assignment of the proton and carbon NMR spectra of ouabain and ouabagenin Canadian Journal of Chemistry 1990
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