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ADUNCTIN-A,(1''S)-1-[2'-HYDROXY-4'-METHOXY-6'-[4''-METHYL-1''-(1'''-METHYLETHYL)-CYCLOHEX-3''-EN-1''-YLOXY]-PHENYL]-3-PHENYLPROPAN-1-ONE
SpectraBase Compound ID 6KpNw2yvRpo
InChI InChI=1S/C26H32O4/c1-18(2)26(14-12-19(3)13-15-26)30-24-17-21(29-4)16-23(28)25(24)22(27)11-10-20-8-6-5-7-9-20/h5-9,12,16-18,28H,10-11,13-15H2,1-4H3/t26-/m1/s1
InChIKey SEFWPUMBPRKGFS-AREMUKBSSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39TAjU9Ub4e
Name ADUNCTIN-A,(1''S)-1-[2'-HYDROXY-4'-METHOXY-6'-[4''-METHYL-1''-(1'''-METHYLETHYL)-CYCLOHEX-3''-EN-1''-YLOXY]-PHENYL]-3-PHENYLPROPAN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-18(2)26(14-12-19(3)13-15-26)30-24-17-21(29-4)16-23(28)25(24)22(27)11-10-20-8-6-5-7-9-20/h5-9,12,16-18,28H,10-11,13-15H2,1-4H3/t26-/m1/s1
InChIKey SEFWPUMBPRKGFS-AREMUKBSSA-N
Literature Reference Author J.ORJALA,A.D.WRIGHT,C.A.J.ERDELMEIER,O.STICHER,T.RALI
Literature Reference Citation HELV.CHIM.ACTA,76,1481(1993)
Literature Reference DOI 10.1002/hlca.19930760409
Molecular Weight 408.538 g/mol
Solvent C6D6
Source File Reference UWWB111