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9-ALPHA-ACETHOXY-MILLER-1(10)-Z-ENOLIDE
SpectraBase Compound ID CO6rABELNRM
InChI InChI=1S/C21H24O8/c1-10(2)20(25)29-19-15-12(4)21(26)28-18(15)16(24)11(3)7-6-8-14(9-22)17(19)27-13(5)23/h8-9,15-19,24H,1,3-4,6-7H2,2,5H3/b14-8-/t15-,16-,17+,18-,19-/m0/s1
InChIKey QCTYKEDNIPKZDW-KGHUULCPSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pvjQRP3wsv
Name 9-ALPHA-ACETHOXY-MILLER-1(10)-Z-ENOLIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-10(2)20(25)29-19-15-12(4)21(26)28-18(15)16(24)11(3)7-6-8-14(9-22)17(19)27-13(5)23/h8-9,15-19,24H,1,3-4,6-7H2,2,5H3/b14-8-/t15-,16-,17+,18-,19-/m0/s1
InChIKey QCTYKEDNIPKZDW-KGHUULCPSA-N
Literature Reference Author V.CASTRO,P.RUENGELER,R.MURILLO,E.HERNANDEZ,G.MORA,H.L.PAHL,I .MERFORT
Literature Reference Citation PHYTOCHEM.,53,257(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00510-5
Molecular Weight 404.417 g/mol
Solvent CDCl3
Source File Reference UWLU1639