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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 IFjfobs3JX
Name SELAGINELLIN-A;(R,S)-4-[(4'-HYDROXY-3-[(4-HYDROXY-PHENYL)-ETHYNYL]-BIPHENYL-2-YL)-(4-HYDROXY-PHENYL)-METHYLENE]-2,5-CYCLOHEXADIEN-1-ONE
Compound Number 1
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 X.L.CHENG,S.C.MA,J.D.YU,S.Y.YANG,X.Y.XIAO,J.Y.HU,Y.LU,P.C.SH AW,P.P.H.BUT
Literature Reference Citation CHEM.PHARM.BULL.,56,982(2008)
Literature Reference DOI 10.1248/cpb.56.982
Molecular Weight 482.535 g/mol
Sample ID 1873
Solvent Unknown