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SELAGINELLIN-A
SpectraBase Compound ID AlCqxMTNlqk
InChI InChI=1S/C33H22O4/c34-27-14-5-22(6-15-27)4-7-24-2-1-3-31(23-8-16-28(35)17-9-23)33(24)32(25-10-18-29(36)19-11-25)26-12-20-30(37)21-13-26/h1-3,5-6,8-21,34-36H
InChIKey FUAPXKIORDIAAB-UHFFFAOYSA-N
Mol Weight 482.5 g/mol
Molecular Formula C33H22O4
Exact Mass 482.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UqyfeYVFBm
Name SELAGINELLIN-A;4-[[4'-HYDROXY-3-[(4-HYDROXYPHENYL)-ETHYNYL]-BIPHENYL-2-YL]-(4-HYDROXYPHENYL)-METHYLENE]-CYCLO-HEXA-2,5-DIEN-1-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H22O4
InChI InChI=1S/C33H22O4/c34-27-14-5-22(6-15-27)4-7-24-2-1-3-31(23-8-16-28(35)17-9-23)33(24)32(25-10-18-29(36)19-11-25)26-12-20-30(37)21-13-26/h1-3,5-6,8-21,34-36H
InChIKey FUAPXKIORDIAAB-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 482.535 g/mol
Solvent ACETONE-D6
Source File Reference UWIR11104