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DIPHLORETHOHYDROXYCARMALOL-NONAACETATE;7-(3,5-DIACETOXYPHENOXY)-1,2,6,8-TETRAACETOXY-3-(2,4,6-TRIACETOXYPHENOXY)-DIBENZO-[1,4]-DIOXIN
SpectraBase Compound ID IMJzJPH6fAo
InChI InChI=1S/C42H34O22/c1-17(43)52-26-10-27(53-18(2)44)12-28(11-26)61-38-32(57-22(6)48)15-34-40(42(38)60-25(9)51)64-35-16-33(37(58-23(7)49)41(39(35)63-34)59-24(8)50)62-36-30(55-20(4)46)13-29(54-19(3)45)14-31(36)56-21(5)47/h10-16H,1-9H3
InChIKey FIDAGFIFDTWHJG-UHFFFAOYSA-N
Mol Weight 890.7 g/mol
Molecular Formula C42H34O22
Exact Mass 890.154173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a1H5z1cV7V
Name DIPHLORETHOHYDROXYCARMALOL-NONAACETATE;7-(3,5-DIACETOXYPHENOXY)-1,2,6,8-TETRAACETOXY-3-(2,4,6-TRIACETOXYPHENOXY)-DIBENZO-[1,4]-DIOXIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H34O22
InChI InChI=1S/C42H34O22/c1-17(43)52-26-10-27(53-18(2)44)12-28(11-26)61-38-32(57-22(6)48)15-34-40(42(38)60-25(9)51)64-35-16-33(37(58-23(7)49)41(39(35)63-34)59-24(8)50)62-36-30(55-20(4)46)13-29(54-19(3)45)14-31(36)56-21(5)47/h10-16H,1-9H3
InChIKey FIDAGFIFDTWHJG-UHFFFAOYSA-N
Literature Reference Author S.M.LI,K.W.GLOMBITZA,
Literature Reference Citation PHYTOCHEM.,30,3417(1991)
Literature Reference DOI 10.1016/0031-9422(91)83220-F
Molecular Weight 890.719 g/mol
Solvent CDCl3
Source File Reference UWSI23351