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Tenellin
SpectraBase Compound ID Jfq1ipiP5Tf
InChI InChI=1S/C21H23NO5/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22(27)21(19)26)15-6-8-16(23)9-7-15/h5-13,23,25,27H,4H2,1-3H3/b10-5+,14-11+
InChIKey YELFBSBOFKWHSL-QDPFKYGGSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2mHrfgyzss
Name 2(1H)-Pyridinone, 3-(4,6-dimethyl-1-oxo-2,4-octadienyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)-, (E,E)-
CAS Registry Number 53823-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22(27)21(19)26)15-6-8-16(23)9-7-15/h5-13,23,25,27H,4H2,1-3H3/b10-5+,14-11+
InChIKey YELFBSBOFKWHSL-QDPFKYGGSA-N
Molecular Weight 369.417 g/mol
SMILES Oc1ccc(C2=CN(C(C(=C2O)C(\C=C\C(=C\C(CC)C)C)=O)=O)O)cc1
SPLASH splash10-03di-0039000000-9b9f6cb338adbfb303cc
Source of Spectrum I-55-4097-0
Synonyms Tenellin 3-[(2E,4E)-4,6-dimethyl-1-oxoocta-2,4-dienyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)-2-pyridinone 3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one 3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-1,4-bis(oxidanyl)pyridin-2-one
Wiley ID 1353697