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TRIHYDROXYHEPTAPHLORETHOL-A-OCTADECAACETATE;2,3,4,3',5'-PENTAACETOXY-6-(2,3,4-TRIACETOXY-6-(2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY)-PHEN
SpectraBase Compound ID RhkcKk4s09
InChI InChI=1S/C78H66O42/c1-31(79)97-49-19-56(100-34(4)82)69(57(20-49)101-35(5)83)117-52-25-62(106-40(10)88)72(63(26-52)107-41(11)89)119-67-30-65(109-43(13)91)74(112-46(16)94)78(114-48(18)96)76(67)120-66-29-64(108-42(12)90)73(111-45(15)93)77(113-47(17)95)75(66)118-53-27-60(104-38(8)86)71(61(28-53)105-39(9)87)116-51-23-58(102-36(6)84)70(59(24-51)103-37(7)85)115-50-21-54(98-32(2)80)68(110-44(14)92)55(22-50)99-33(3)81/h19-30H,1-18H3
InChIKey OTTHHQOKOWVLCA-UHFFFAOYSA-N
Mol Weight 1675.3 g/mol
Molecular Formula C78H66O42
Exact Mass 1674.302866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFfnRx2hixd
Name TRIHYDROXYHEPTAPHLORETHOL-A-OCTADECAACETATE;2,3,4,3',5'-PENTAACETOXY-6-(2,3,4-TRIACETOXY-6-(2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY)-PHEN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H66O42
InChI InChI=1S/C78H66O42/c1-31(79)97-49-19-56(100-34(4)82)69(57(20-49)101-35(5)83)117-52-25-62(106-40(10)88)72(63(26-52)107-41(11)89)119-67-30-65(109-43(13)91)74(112-46(16)94)78(114-48(18)96)76(67)120-66-29-64(108-42(12)90)73(111-45(15)93)77(113-47(17)95)75(66)118-53-27-60(104-38(8)86)71(61(28-53)105-39(9)87)116-51-23-58(102-36(6)84)70(59(24-51)103-37(7)85)115-50-21-54(98-32(2)80)68(110-44(14)92)55(22-50)99-33(3)81/h19-30H,1-18H3
InChIKey OTTHHQOKOWVLCA-UHFFFAOYSA-N
Literature Reference Author K.W.GLOMBITZA,A.SCHMIDT
Literature Reference Citation PHYTOCHEM.,51,1095(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00120-X
Molecular Weight 1675.357 g/mol
Solvent CDCl3
Source File Reference UWVN11080