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4-HYDROXY-2-[(3,4-METHYLENEDIOXYPHENYL)-TRIDECANOYL]-CYCLOHEXANE-1,3-DIONE
SpectraBase Compound ID 82vw84BUI7Q
InChI InChI=1S/C26H36O6/c27-20(25-21(28)14-15-22(29)26(25)30)12-10-8-6-4-2-1-3-5-7-9-11-19-13-16-23-24(17-19)32-18-31-23/h13,16-17,22,28-29H,1-12,14-15,18H2
InChIKey GKABSABUHJGUFL-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C26H36O6
Exact Mass 444.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kK8qG2Mfcs
Name 4-HYDROXY-2-[(3,4-METHYLENEDIOXYPHENYL)-TRIDECANOYL]-CYCLOHEXANE-1,3-DIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O6
InChI InChI=1S/C26H36O6/c27-20(25-21(28)14-15-22(29)26(25)30)12-10-8-6-4-2-1-3-5-7-9-11-19-13-16-23-24(17-19)32-18-31-23/h13,16-17,22,28-29H,1-12,14-15,18H2
InChIKey GKABSABUHJGUFL-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 444.568 g/mol
Sample ID 30519
Solvent CDCl3