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Perlatolic acid
SpectraBase Compound ID KbInbZtooR4
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey UTAQXQVSEKIWBB-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Hjb4DXj5s5
Name PERLATOLIC-ACID;2-HYDROXY-4-[(2-HYDROXY-4-METHOXY-6-PENTYLBENZOYL)-OXY]-6-PENTYLBENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey UTAQXQVSEKIWBB-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 444.525 g/mol
Source File Reference UWBT4854