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TRIACETATE-OF-10,15-DIHYDRO-1,3,6,8,11,13-HEXAMETHOXY-2,7,12-TRIOL-5H-TRIBENZO-[A,D,G]-CYCLONONENE
SpectraBase Compound ID AsHX5thpVvq
InChI InChI=1S/C33H36O12/c1-16(34)43-31-25(37-4)13-19-11-23-21(15-27(39-6)33(29(23)41-8)45-18(3)36)12-24-20(10-22(19)28(31)40-7)14-26(38-5)32(30(24)42-9)44-17(2)35/h13-15H,10-12H2,1-9H3
InChIKey UKEDFNARFDDNBE-UHFFFAOYSA-N
Mol Weight 624.6 g/mol
Molecular Formula C33H36O12
Exact Mass 624.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3SJfzgyrF2
Name TRIACETATE-OF-10,15-DIHYDRO-1,3,6,8,11,13-HEXAMETHOXY-2,7,12-TRIOL-5H-TRIBENZO-[A,D,G]-CYCLONONENE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H36O12
InChI InChI=1S/C33H36O12/c1-16(34)43-31-25(37-4)13-19-11-23-21(15-27(39-6)33(29(23)41-8)45-18(3)36)12-24-20(10-22(19)28(31)40-7)14-26(38-5)32(30(24)42-9)44-17(2)35/h13-15H,10-12H2,1-9H3
InChIKey UKEDFNARFDDNBE-UHFFFAOYSA-N
Literature Reference Author M.LAHTINEN,K.KRUUS,P.HEINONEN,J.SIPILA
Literature Reference Citation J.AGR.FOOD.CHEM.,57,8357(2009)
Literature Reference DOI 10.1021/jf901511k
Molecular Weight 624.642 g/mol
Sample ID 68153
Solvent CDCl3