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19-ACETOXY-18-CHLORO-4-ALPHA-HYDROXY-6-OXONEOCLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 4JmBesqJLuY
InChI InChI=1S/C22H31ClO6/c1-14-9-18(25)22(13-29-15(2)24)17(5-4-7-21(22,27)12-23)20(14,3)8-6-16-10-19(26)28-11-16/h10,14,17,27H,4-9,11-13H2,1-3H3/t14-,17-,20+,21+,22+/m1/s1
InChIKey CGDXZAMEJFCLBC-NPZIIBKFSA-N
Mol Weight 426.94 g/mol
Molecular Formula C22H31ClO6
Exact Mass 426.180916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QNkBpPj8Bl
Name 19-ACETOXY-18-CHLORO-4-ALPHA-HYDROXY-6-OXONEOCLEROD-13-EN-15,16-OLIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31ClO6
InChI InChI=1S/C22H31ClO6/c1-14-9-18(25)22(13-29-15(2)24)17(5-4-7-21(22,27)12-23)20(14,3)8-6-16-10-19(26)28-11-16/h10,14,17,27H,4-9,11-13H2,1-3H3/t14-,17-,20+,21+,22+/m1/s1
InChIKey CGDXZAMEJFCLBC-NPZIIBKFSA-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 426.938 g/mol
Solvent CDCl3
Source File Reference UWLU2779