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1-ALPHA,19;4-ALPHA,18-DIEPOXY-6-ALPHA-HYDROXYNEOCLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID GPosIqYKvak
InChI InChI=1S/C20H28O5/c1-12-7-15(21)20-11-24-14(4-6-19(20)10-25-19)17(20)18(12,2)5-3-13-8-16(22)23-9-13/h8,12,14-15,17,21H,3-7,9-11H2,1-2H3/t12-,14+,15+,17-,18+,19+,20-/m1/s1
InChIKey BUAZYLDEOFKLSO-DIFBKIQNSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZe5sDzEd32
Name 1-ALPHA,19;4-ALPHA,18-DIEPOXY-6-ALPHA-HYDROXYNEOCLEROD-13-EN-15,16-OLIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-12-7-15(21)20-11-24-14(4-6-19(20)10-25-19)17(20)18(12,2)5-3-13-8-16(22)23-9-13/h8,12,14-15,17,21H,3-7,9-11H2,1-2H3/t12-,14+,15+,17-,18+,19+,20-/m1/s1
InChIKey BUAZYLDEOFKLSO-DIFBKIQNSA-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 348.439 g/mol
Solvent CDCl3
Source File Reference UWLU2780