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GELASTATIN-A;3-(5E-HEXA-2E,4E-DIENYLIDENE-2-OXO-5,6-DIHYDRO-2H-PYRAN-3-YL)-PROPANOIC-ACID
SpectraBase Compound ID 5XgeNhvEl4A
InChI InChI=1S/C14H16O4/c1-2-3-4-5-6-11-9-12(7-8-13(15)16)14(17)18-10-11/h2-6,9H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4+,11-6-
InChIKey ACFXHMLFZGREFW-FOZCRLHDSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCLzK11dzJE
Name GELASTATIN-A;3-(5E-HEXA-2E,4E-DIENYLIDENE-2-OXO-5,6-DIHYDRO-2H-PYRAN-3-YL)-PROPANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-3-4-5-6-11-9-12(7-8-13(15)16)14(17)18-10-11/h2-6,9H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4+,11-6-
InChIKey ACFXHMLFZGREFW-FOZCRLHDSA-N
Literature Reference Author H.J.LEE,M.C.CHUNG,C.H.LEE,B.S.YUN,H.K.CHUN,Y.H.KHO
Literature Reference Citation J.ANTIBIOTICS,50,357(1997)
Literature Reference DOI 10.7164/antibiotics.50.357
Molecular Weight 248.279 g/mol
Solvent CD3OD
Source File Reference UWCS24184