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10,12,10'-TRICHLOROISOPLAGIOCHIN-C;BAZZANIN-M
SpectraBase Compound ID Ez8IAelEhR4
InChI InChI=1S/C28H19Cl3O4/c29-22-13-19-17(26(31)28(22)35)7-2-15-4-10-24(33)21(12-15)20-11-14(3-9-23(20)32)1-5-16-6-8-18(19)27(34)25(16)30/h1,3-6,8-13,32-35H,2,7H2/b5-1-
InChIKey YRJIHLSUELLWET-KTAJNNJTSA-N
Mol Weight 525.82 g/mol
Molecular Formula C28H19Cl3O4
Exact Mass 524.034892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62jmUqMaEIJ
Name 10,12,10'-TRICHLOROISOPLAGIOCHIN-C;BAZZANIN-M
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H19Cl3O4
InChI InChI=1S/C28H19Cl3O4/c29-22-13-19-17(26(31)28(22)35)7-2-15-4-10-24(33)21(12-15)20-11-14(3-9-23(20)32)1-5-16-6-8-18(19)27(34)25(16)30/h1,3-6,8-13,32-35H,2,7H2/b5-1-
InChIKey YRJIHLSUELLWET-KTAJNNJTSA-N
Literature Reference Author J.M.SCHER,J.ZAPP,A.SCHMIDT,H.BECKER
Literature Reference Citation PHYTOCHEM.,64,791(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00382-0
Molecular Weight 525.815 g/mol
Solvent CDCl3
Source File Reference UWKP5740