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SELAGINELLIN;4-[[4'-HYDROXY-4-HYDROXYMETHYL-3-[(4-HYDROXYPHENYL)-ETHYNYL]-BIPHENYL-2-YL]-(4-HYDROXYPHENYL)-METHYLENE]-CYCLO-HEXA-2,5-DIEN-1-ONE
SpectraBase Compound ID 7gNWmujktKJ
InChI InChI=1S/C34H24O5/c35-21-26-10-20-31(23-4-13-28(37)14-5-23)34(32(26)19-3-22-1-11-27(36)12-2-22)33(24-6-15-29(38)16-7-24)25-8-17-30(39)18-9-25/h1-2,4-18,20,35-38H,21H2
InChIKey SJSFYXIEVFIZJC-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C34H24O5
Exact Mass 512.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6phALN6Yf8w
Name SELAGINELLIN;4-[[4'-HYDROXY-4-HYDROXYMETHYL-3-[(4-HYDROXYPHENYL)-ETHYNYL]-BIPHENYL-2-YL]-(4-HYDROXYPHENYL)-METHYLENE]-CYCLO-HEXA-2,5-DIEN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H24O5
InChI InChI=1S/C34H24O5/c35-21-26-10-20-31(23-4-13-28(37)14-5-23)34(32(26)19-3-22-1-11-27(36)12-2-22)33(24-6-15-29(38)16-7-24)25-8-17-30(39)18-9-25/h1-2,4-18,20,35-38H,21H2
InChIKey SJSFYXIEVFIZJC-UHFFFAOYSA-N
Literature Reference Author C.YANG,Y.SHAO,K.LI,W.XIA
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1884(2012)
Literature Reference DOI 10.3762/bjoc.8.217
Molecular Weight 512.562 g/mol
Solvent ACETONE-D6
Source File Reference UWIR11103