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BPEUWJXBZXTBRD-AOUUTCTDSA-N

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BPEUWJXBZXTBRD-AOUUTCTDSA-N
SpectraBase Compound ID 67G3QeXPyXp
InChI InChI=1S/C36H28N2O12/c39-13-5-22(41)15-10-25(44)35(49-27(15)7-13)17-9-21-31(38-20-4-2-1-3-19(20)37-21)33(47)29(17)30-18(12-24(43)32(46)34(30)48)36-26(45)11-16-23(42)6-14(40)8-28(16)50-36/h1-9,12,25-26,35-36,39-48H,10-11H2/t25-,26?,35-,36?/m0/s1
InChIKey BPEUWJXBZXTBRD-AOUUTCTDSA-N
Mol Weight 680.6 g/mol
Molecular Formula C36H28N2O12
Exact Mass 680.164224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaKKUZbOSJQ
Name BPEUWJXBZXTBRD-AOUUTCTDSA-N
Compound Number 10
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28N2O12
InChI InChI=1S/C36H28N2O12/c39-13-5-22(41)15-10-25(44)35(49-27(15)7-13)17-9-21-31(38-20-4-2-1-3-19(20)37-21)33(47)29(17)30-18(12-24(43)32(46)34(30)48)36-26(45)11-16-23(42)6-14(40)8-28(16)50-36/h1-9,12,25-26,35-36,39-48H,10-11H2/t25-,26?,35-,36?/m0/s1
InChIKey BPEUWJXBZXTBRD-AOUUTCTDSA-N
Literature Reference Author T.TANAKA,K.KONDOU,I.KOUNO
Literature Reference Citation PHYTOCHEM.,53,311(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00533-6
Molecular Weight 680.625 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWLU1659