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TRIHYDROXYOCTAPHLORETHOL-A-EICOSAACETATE;2,3,4,3',5'-PENTAACETOXY-6-(2,3,4-TRIACETOXY-6-(2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY)-PHENOXY
SpectraBase Compound ID 8YT0fuKdpLT
InChI InChI=1S/C88H74O47/c1-35(89)109-55-21-63(112-38(4)92)78(64(22-55)113-39(5)93)132-59-29-71(120-46(12)100)82(72(30-59)121-47(13)101)134-76-34-74(123-49(15)103)84(126-52(18)106)88(128-54(20)108)86(76)135-75-33-73(122-48(14)102)83(125-51(17)105)87(127-53(19)107)85(75)133-60-31-69(118-44(10)98)81(70(32-60)119-45(11)99)131-58-27-67(116-42(8)96)80(68(28-58)117-43(9)97)130-57-25-65(114-40(6)94)79(66(26-57)115-41(7)95)129-56-23-61(110-36(2)90)77(124-50(16)104)62(24-56)111-37(3)91/h21-34H,1-20H3
InChIKey ZHWJZTUSHZCJFN-UHFFFAOYSA-N
Mol Weight 1883.5 g/mol
Molecular Formula C88H74O47
Exact Mass 1882.340039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ydu51tXsF2
Name TRIHYDROXYOCTAPHLORETHOL-A-EICOSAACETATE;2,3,4,3',5'-PENTAACETOXY-6-(2,3,4-TRIACETOXY-6-(2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY)-PHENOXY
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H74O47
InChI InChI=1S/C88H74O47/c1-35(89)109-55-21-63(112-38(4)92)78(64(22-55)113-39(5)93)132-59-29-71(120-46(12)100)82(72(30-59)121-47(13)101)134-76-34-74(123-49(15)103)84(126-52(18)106)88(128-54(20)108)86(76)135-75-33-73(122-48(14)102)83(125-51(17)105)87(127-53(19)107)85(75)133-60-31-69(118-44(10)98)81(70(32-60)119-45(11)99)131-58-27-67(116-42(8)96)80(68(28-58)117-43(9)97)130-57-25-65(114-40(6)94)79(66(26-57)115-41(7)95)129-56-23-61(110-36(2)90)77(124-50(16)104)62(24-56)111-37(3)91/h21-34H,1-20H3
InChIKey ZHWJZTUSHZCJFN-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 1883.527 g/mol
Solvent CDCl3
Source File Reference UWVN11081