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2-[4,5-dimethoxy-5-(3-phenyl-trans-allyl)cyclohexa-3,6-dien-2-on-1-ylmethyl]-5-hydroxy-6-methoxy-3-phenylbenzofuran
SpectraBase Compound ID KXTr3NhtHrx
InChI InChI=1S/C33H30O6/c1-36-29-20-28-25(18-27(29)35)32(23-14-8-5-9-15-23)30(39-28)17-24-21-33(38-3,31(37-2)19-26(24)34)16-10-13-22-11-6-4-7-12-22/h4-15,18-21,35H,16-17H2,1-3H3/b13-10+
InChIKey TZBPQIOKLWLNNI-JLHYYAGUSA-N
Mol Weight 522.6 g/mol
Molecular Formula C33H30O6
Exact Mass 522.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzIIYpMdwmN
Name 2-[4,5-DIMETHOXY-5-(3-PHENYL-TRANS-ALLYL)-CYClOHEXA-3,6-DIEN-2-ON-1-YLMETHYL]-5-HYDROXY-6-METHOXY-3-PHENYLBENZOFURAN
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H30O6
InChI InChI=1S/C33H30O6/c1-36-29-20-28-25(18-27(29)35)32(23-14-8-5-9-15-23)30(39-28)17-24-21-33(38-3,31(37-2)19-26(24)34)16-10-13-22-11-6-4-7-12-22/h4-15,18-21,35H,16-17H2,1-3H3/b13-10+
InChIKey TZBPQIOKLWLNNI-JLHYYAGUSA-N
Literature Reference Author O.SHIROTA,V.PATHAK,S.SEKITA,M.SATAKE,Y.NAGASHIMA,Y.HIRAYAMA, Y.HAKAMATA,T.HAYASHI
Literature Reference Citation J.NAT.PROD.,66,1128(2003)
Literature Reference DOI 10.1021/np0300683
Molecular Weight 522.598 g/mol
Solvent CDCl3
Source File Reference UWSP199