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TRIPHLORETHOHYDROXYCARMALOL-UNDECAACETATE;7-[3,5-DIACETOXY-4-(3,5-DIACETOXYPHENOXY)-PHENOXY]-1,2,6,8-TETRAACETOXY-3-(2,4,6-TRIACETOXYPHENOXY)-DIBEN

View entire compound with spectra: 1 NMR

TRIPHLORETHOHYDROXYCARMALOL-UNDECAACETATE;7-[3,5-DIACETOXY-4-(3,5-DIACETOXYPHENOXY)-PHENOXY]-1,2,6,8-TETRAACETOXY-3-(2,4,6-TRIACETOXYPHENOXY)-DIBEN
SpectraBase Compound ID 9rdTb9dlRrB
InChI InChI=1S/C52H42O27/c1-21(53)64-32-12-33(65-22(2)54)14-34(13-32)75-45-37(67-24(4)56)17-36(18-38(45)68-25(5)57)76-48-41(71-28(8)60)19-43-50(52(48)74-31(11)63)79-44-20-42(47(72-29(9)61)51(49(44)78-43)73-30(10)62)77-46-39(69-26(6)58)15-35(66-23(3)55)16-40(46)70-27(7)59/h12-20H,1-11H3
InChIKey LQIZQYMGLNCUFS-UHFFFAOYSA-N
Mol Weight 1098.9 g/mol
Molecular Formula C52H42O27
Exact Mass 1098.191346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2w5x4c44r1
Name TRIPHLORETHOHYDROXYCARMALOL-UNDECAACETATE;7-[3,5-DIACETOXY-4-(3,5-DIACETOXYPHENOXY)-PHENOXY]-1,2,6,8-TETRAACETOXY-3-(2,4,6-TRIACETOXYPHENOXY)-DIBEN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H42O27
InChI InChI=1S/C52H42O27/c1-21(53)64-32-12-33(65-22(2)54)14-34(13-32)75-45-37(67-24(4)56)17-36(18-38(45)68-25(5)57)76-48-41(71-28(8)60)19-43-50(52(48)74-31(11)63)79-44-20-42(47(72-29(9)61)51(49(44)78-43)73-30(10)62)77-46-39(69-26(6)58)15-35(66-23(3)55)16-40(46)70-27(7)59/h12-20H,1-11H3
InChIKey LQIZQYMGLNCUFS-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 1098.889 g/mol
Solvent CDCl3
Source File Reference UWSI23352