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#3;CHLORO-BISFUCOPHLORETHOL-A-NONADECA-ACETATE;4,3',5'-TRIACETOXY-2,6-BIS-[2,6-DIACETOXY-3-(2,4,6-TRIACETOXYPHENYL)-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-4'-CHL
SpectraBase Compound ID 5duSHZQKntA
InChI InChI=1S/C86H71ClO43/c1-34(88)107-53-20-59(112-39(6)93)75(60(21-53)113-40(7)94)77-63(127-81-67(118-45(12)99)26-55(109-36(3)90)27-68(81)119-46(13)100)32-73(122-49(16)103)83(85(77)124-51(18)105)129-71-30-57(111-38(5)92)31-72(80(71)126-58-24-65(116-43(10)97)79(87)66(25-58)117-44(11)98)130-84-74(123-50(17)104)33-64(128-82-69(120-47(14)101)28-56(110-37(4)91)29-70(82)121-48(15)102)78(86(84)125-52(19)106)76-61(114-41(8)95)22-54(108-35(2)89)23-62(76)115-42(9)96/h20-33H,1-19H3
InChIKey DAJBSUPNGPFFSW-UHFFFAOYSA-N
Mol Weight 1827.9 g/mol
Molecular Formula C86H71ClO43
Exact Mass 1826.305759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5azIcvuaDKR
Name #3;CHLORO-BISFUCOPHLORETHOL-A-NONADECA-ACETATE;4,3',5'-TRIACETOXY-2,6-BIS-[2,6-DIACETOXY-3-(2,4,6-TRIACETOXYPHENYL)-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-4'-CHL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H71ClO43
InChI InChI=1S/C86H71ClO43/c1-34(88)107-53-20-59(112-39(6)93)75(60(21-53)113-40(7)94)77-63(127-81-67(118-45(12)99)26-55(109-36(3)90)27-68(81)119-46(13)100)32-73(122-49(16)103)83(85(77)124-51(18)105)129-71-30-57(111-38(5)92)31-72(80(71)126-58-24-65(116-43(10)97)79(87)66(25-58)117-44(11)98)130-84-74(123-50(17)104)33-64(128-82-69(120-47(14)101)28-56(110-37(4)91)29-70(82)121-48(15)102)78(86(84)125-52(19)106)76-61(114-41(8)95)22-54(108-35(2)89)23-62(76)115-42(9)96/h20-33H,1-19H3
InChIKey DAJBSUPNGPFFSW-UHFFFAOYSA-N
Literature Reference Author K.W.GLOMBITZA,M.KEUSGEN,S.HAUPERICH
Literature Reference Citation PHYTOCHEM.,46,1417(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00499-8
Molecular Weight 1827.937 g/mol
Sample ID 45695
Solvent CDCl3