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4-HYDROXY-2-[(3,4-METHYLENEDIOXYPHENYL)-NONANOYL]-CYCLOHEXANE-1,3-DIONE
SpectraBase Compound ID HpVwDYa99k6
InChI InChI=1S/C22H28O6/c23-16(21-17(24)10-11-18(25)22(21)26)8-6-4-2-1-3-5-7-15-9-12-19-20(13-15)28-14-27-19/h9,12-13,18,24-25H,1-8,10-11,14H2
InChIKey JIYFQPUFIZPUKY-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wXxVFravBl
Name 4-HYDROXY-2-[(3,4-METHYLENEDIOXYPHENYL)-NONANOYL]-CYCLOHEXANE-1,3-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c23-16(21-17(24)10-11-18(25)22(21)26)8-6-4-2-1-3-5-7-15-9-12-19-20(13-15)28-14-27-19/h9,12-13,18,24-25H,1-8,10-11,14H2
InChIKey JIYFQPUFIZPUKY-UHFFFAOYSA-N
Literature Reference Author N.LI,J.L.WU,T.HASEGAWA,J.I.SASAKI,L.M.BAI,L.Y.WANG,S.KAKUTA, Y.FURUYA,H.OGURA,T.K
Literature Reference Citation J.NAT.PROD.,70,998(2007)
Literature Reference DOI 10.1021/np070089n
Molecular Weight 388.461 g/mol
Sample ID 30517
Solvent CDCl3