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XANTHOPAPPIN_C;1,2-BIS-[5-(E)-HEPT-5-ENE-1,3-DIYNYLTHIOPHEN-2-YL]-2-HYDROXYPENTANE-1,4-DIONE
SpectraBase Compound ID Gb1hOexeOqb
InChI InChI=1S/C27H20O3S2/c1-4-6-8-10-12-14-22-16-18-24(31-22)26(29)27(30,20-21(3)28)25-19-17-23(32-25)15-13-11-9-7-5-2/h4-7,16-19,30H,20H2,1-3H3/b6-4+,7-5+
InChIKey YIPZRWXKZQNUSS-YDFGWWAZSA-N
Mol Weight 456.57 g/mol
Molecular Formula C27H20O3S2
Exact Mass 456.085387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQPmSXhhKSk
Name XANTHOPAPPIN_C;1,2-BIS-[5-(E)-HEPT-5-ENE-1,3-DIYNYLTHIOPHEN-2-YL]-2-HYDROXYPENTANE-1,4-DIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H20O3S2
InChI InChI=1S/C27H20O3S2/c1-4-6-8-10-12-14-22-16-18-24(31-22)26(29)27(30,20-21(3)28)25-19-17-23(32-25)15-13-11-9-7-5-2/h4-7,16-19,30H,20H2,1-3H3/b6-4+,7-5+
InChIKey YIPZRWXKZQNUSS-YDFGWWAZSA-N
Literature Reference Author Y.TIAN,X.WEI,H.XU
Literature Reference Citation J.NAT.PROD.,69,1241(2006)
Literature Reference DOI 10.1021/np060209b
Molecular Weight 456.574 g/mol
Solvent CDCl3
Source File Reference UWMZ15626