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AJUGARIN-II;19-ACETOXY-4-ALPHA,18-EPOXY-6-ALPHA-HYDROXYNEOCLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID Ef5bQyE7uFS
InChI InChI=1S/C22H32O6/c1-14-9-18(24)22(13-27-15(2)23)17(5-4-7-21(22)12-28-21)20(14,3)8-6-16-10-19(25)26-11-16/h10,14,17-18,24H,4-9,11-13H2,1-3H3/t14-,17-,18+,20+,21+,22+/m1/s1
InChIKey QDGFAVMJPYRERF-FYHNCAPNSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hg5Tt3vybFX
Name AJUGARIN-II;19-ACETOXY-4-ALPHA,18-EPOXY-6-ALPHA-HYDROXYNEOCLEROD-13-EN-15,16-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-14-9-18(24)22(13-27-15(2)23)17(5-4-7-21(22)12-28-21)20(14,3)8-6-16-10-19(25)26-11-16/h10,14,17-18,24H,4-9,11-13H2,1-3H3/t14-,17-,18+,20+,21+,22+/m1/s1
InChIKey QDGFAVMJPYRERF-FYHNCAPNSA-N
Literature Reference Author C.CABALLERO,P.CASTANERA,F.ORTEGO,G.FONTANA,P.PIERRO,G.SAVONA ,B.RODRIGUEZ
Literature Reference Citation PHYTOCHEM.,58,249(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00253-9
Molecular Weight 392.492 g/mol
Solvent CDCl3
Source File Reference UWLU2774