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 Google Search
Mol Weight	456.57 g/mol
Molecular Formula	C27H20O3S2
Exact Mass	456.085387 g/mol

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SpectraBase Spectrum ID	6GQ36yNtkJy
Name	Xanthopappin C
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight	456.574 g/mol
SMILES	OC(c1sc(C#CC#C\C=C\C)cc1)(C(c1sc(C#CC#C\C=C\C)cc1)=O)CC(=O)C
SPLASH	splash10-0002-0932000000-6d41fce992a4d7db1a70
Source of Spectrum	G4-69-1243-3
Synonyms	1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]-2-thiophenyl]-2-hydroxypentane-1,4-dione 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]-2-hydroxypentane-1,4-dione 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]-2-oxidanyl-pentane-1,4-dione
Wiley ID	1694484