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(E)-4-hydroxy-4-methyl-pent-2-enoic acid [(1S,2E,10R)-10-acetyl-6-keto-3-methyl-7-methylene-1-cyclodec-2-enyl] ester
SpectraBase Compound ID 7C0QN7XyIrc
InChI InChI=1S/C20H28O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16,18,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,18-/m0/s1
InChIKey WNLDPFSWPBREOU-SURQFZOFSA-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 Bu1E8bvJ4Cn
Name (E)-4-hydroxy-4-methyl-pent-2-enoic acid [(1S,2E,10R)-10-acetyl-6-keto-3-methyl-7-methylene-1-cyclodec-2-enyl] ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16,18,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,18-/m0/s1
InChIKey WNLDPFSWPBREOU-SURQFZOFSA-N
Literature Reference Author S.P.GARZON,A.D.RODRIGUEZ,J.A.SANCHEZ,E.ORTEGA-BARRIA
Literature Reference Citation J.NAT.PROD.,68,1354(2005)
Literature Reference DOI 10.1021/np0501684
Molecular Weight 348.439 g/mol
Solvent CDCl3
Source File Reference UWMZ13391