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KATSUMAIN_C;(2-E)-{2,4-DIHYDROXY-3-[(1-R,2-E,5-R)-5-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-2-HEPTEN-1-YL}-6-METHOXYPHENYL}-3-PHENYL-2-PROPEN-1-ONE
SpectraBase Compound ID 1kuW17rCVZb
InChI InChI=1S/C35H34O7/c1-42-32-22-31(40)33(35(41)34(32)30(39)21-13-23-6-3-2-4-7-23)29(25-14-19-28(38)20-15-25)9-5-8-26(36)16-10-24-11-17-27(37)18-12-24/h2-7,9,11-15,17-22,26,29,36-38,40-41H,8,10,16H2,1H3/b9-5+,21-13+/t26-,29+/m0/s1
InChIKey CHMHCJPJPCCBKX-CJIDPTHHSA-N
Mol Weight 566.7 g/mol
Molecular Formula C35H34O7
Exact Mass 566.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsuUTYfe2wQ
Name KATSUMAIN_C;(2-E)-{2,4-DIHYDROXY-3-[(1-R,2-E,5-R)-5-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-2-HEPTEN-1-YL}-6-METHOXYPHENYL}-3-PHENYL-2-PROPEN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34O7
InChI InChI=1S/C35H34O7/c1-42-32-22-31(40)33(35(41)34(32)30(39)21-13-23-6-3-2-4-7-23)29(25-14-19-28(38)20-15-25)9-5-8-26(36)16-10-24-11-17-27(37)18-12-24/h2-7,9,11-15,17-22,26,29,36-38,40-41H,8,10,16H2,1H3/b9-5+,21-13+/t26-,29+/m0/s1
InChIKey CHMHCJPJPCCBKX-CJIDPTHHSA-N
Literature Reference Author J.W.NAM,G.Y.KANG,A.R.HAN,D.LEE,Y.S.LEE,E.K.SEO
Literature Reference Citation J.NAT.PROD.,74,2109(2011)
Literature Reference DOI 10.1021/np200355n
Molecular Weight 566.651 g/mol
Sample ID 39348
Solvent ACETONE-D6