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SELAGINELLIN-G;(E)-2-[6-[BIS-(4-HYDROXYPHENYL)-METHYLENE]-5-(4-HYDROXYPHENYL)-CYCLOHEXA-2,4-DIEN-YLIDENE]-1-(4-HYDROXYPHENYL)-ETHANONE
SpectraBase Compound ID GPhNG8MObLQ
InChI InChI=1S/C33H24O5/c34-26-12-4-21(5-13-26)30-3-1-2-25(20-31(38)22-6-14-27(35)15-7-22)33(30)32(23-8-16-28(36)17-9-23)24-10-18-29(37)19-11-24/h1-20,34-37H/b25-20+
InChIKey UQXDHOQMTDINBL-LKUDQCMESA-N
Mol Weight 500.6 g/mol
Molecular Formula C33H24O5
Exact Mass 500.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QtoOTh2skS
Name SELAGINELLIN-G;(E)-2-[6-[BIS-(4-HYDROXYPHENYL)-METHYLENE]-5-(4-HYDROXYPHENYL)-CYCLOHEXA-2,4-DIEN-YLIDENE]-1-(4-HYDROXYPHENYL)-ETHANONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H24O5
InChI InChI=1S/C33H24O5/c34-26-12-4-21(5-13-26)30-3-1-2-25(20-31(38)22-6-14-27(35)15-7-22)33(30)32(23-8-16-28(36)17-9-23)24-10-18-29(37)19-11-24/h1-20,34-37H/b25-20+
InChIKey UQXDHOQMTDINBL-LKUDQCMESA-N
Literature Reference Author Y.CAO,J.J.CHEN,N.H.TAN,Y.P.WU,J.YANG,Q.WANG
Literature Reference Citation MAGN.RES.CHEM.,48,656(2010)
Molecular Weight 500.551 g/mol
Solvent CD3OD
Source File Reference UWIR16738