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PROTOCETRARIC-ACID;4-FORMYL-3,8-DIHYDROXY-9-(HYDROXYMETHYL)-1,6-DIMETHYL-11-OXO-11H-DIBENZO-[B,E]-[1,4]-DIOXEPINE-7-CARBOXYLIC-ACID

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PROTOCETRARIC-ACID;4-FORMYL-3,8-DIHYDROXY-9-(HYDROXYMETHYL)-1,6-DIMETHYL-11-OXO-11H-DIBENZO-[B,E]-[1,4]-DIOXEPINE-7-CARBOXYLIC-ACID
SpectraBase Compound ID IyIFNY4DRXc
InChI InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)
InChIKey VOXMONAUSQZPTP-UHFFFAOYSA-N
Mol Weight 374.3 g/mol
Molecular Formula C18H14O9
Exact Mass 374.063782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYmlnsKTYWq
Name PROTOCETRARIC-ACID;4-FORMYL-3,8-DIHYDROXY-9-(HYDROXYMETHYL)-1,6-DIMETHYL-11-OXO-11H-DIBENZO-[B,E]-[1,4]-DIOXEPINE-7-CARBOXYLIC-ACID
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14O9
InChI InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)
InChIKey VOXMONAUSQZPTP-UHFFFAOYSA-N
Literature Reference Author L.F.G.BRANDAO,G.B.ALCANTARA,M.D.F.C.MATOS,D.BOGO,D.D.S.FREIT AS,N.M.OYAMA
Literature Reference Citation CHEM.PHARM.BULL.,61,176(2013)
Literature Reference DOI 10.1248/cpb.c12-00739
Molecular Weight 374.304 g/mol
Source File Reference UWBT4856