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5-HYDROXY-7-METHOXY-3',4'-DIACETOXY-6-(6,6-DIMETHYL-2-OXO-CYClOHEXYLMETHYL)-FLAVONE
SpectraBase Compound ID JPyP3OYm67w
InChI InChI=1S/C29H30O9/c1-15(30)36-22-9-8-17(11-25(22)37-16(2)31)23-13-21(33)27-26(38-23)14-24(35-5)18(28(27)34)12-19-20(32)7-6-10-29(19,3)4/h8-9,11,13-14,19,34H,6-7,10,12H2,1-5H3/t19-/m0/s1
InChIKey UXFOPNAVDQIGLR-IBGZPJMESA-N
Mol Weight 522.55 g/mol
Molecular Formula C29H30O9
Exact Mass 522.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5AMSwdMhpbK
Name 5-HYDROXY-7-METHOXY-3',4'-DIACETOXY-6-(6,6-DIMETHYL-2-OXO-CYClOHEXYLMETHYL)-FLAVONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O9
InChI InChI=1S/C29H30O9/c1-15(30)36-22-9-8-17(11-25(22)37-16(2)31)23-13-21(33)27-26(38-23)14-24(35-5)18(28(27)34)12-19-20(32)7-6-10-29(19,3)4/h8-9,11,13-14,19,34H,6-7,10,12H2,1-5H3/t19-/m0/s1
InChIKey UXFOPNAVDQIGLR-IBGZPJMESA-N
Literature Reference Author Y.L.HUANG,P.Y.YEH,C.C.SHEN,C.C.CHEN
Literature Reference Citation PHYTOCHEM.,64,1277(2003)
Literature Reference DOI 10.1016/j.phytochem.2003.09.009
Molecular Weight 522.552 g/mol
Solvent ACETONE-D6
Source File Reference UWKP5787