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(4S,5S)-4-hydroxy-4-[(4-methoxyphenoxy)methyl]-5-[(1E)-1-methylolbuta-1,3-dienyl]cyclopent-2-en-1-one
SpectraBase Compound ID 7IPFBrnbik9
InChI InChI=1S/C18H20O5/c1-3-4-13(11-19)17-16(20)9-10-18(17,21)12-23-15-7-5-14(22-2)6-8-15/h3-10,17,19,21H,1,11-12H2,2H3/b13-4-/t17-,18-/m1/s1
InChIKey PICIRGUFGNAYJU-WRLQIJJQSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J54mGBJnl7
Name (4S,5S)-4-hydroxy-4-[(4-methoxyphenoxy)methyl]-5-[(1E)-1-methylolbuta-1,3-dienyl]cyclopent-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-3-4-13(11-19)17-16(20)9-10-18(17,21)12-23-15-7-5-14(22-2)6-8-15/h3-10,17,19,21H,1,11-12H2,2H3/b13-4-/t17-,18-/m1/s1
InChIKey PICIRGUFGNAYJU-WRLQIJJQSA-N
Molecular Weight 316.353 g/mol
SMILES O[C@@]1([C@](\C(CO)=C\C=C)(C(C=C1)=O)[H])COc1ccc(cc1)OC
SPLASH splash10-00di-0900000000-47d500f3a5f7a2cd87d3
Source of Spectrum KC-0-3531-25
Synonyms (4S,5S)-4-hydroxy-5-[(1E)-1-(hydroxymethyl)buta-1,3-dienyl]-4-[(4-methoxyphenoxy)methyl]cyclopent-2-en-1-one (4S,5S)-4-hydroxy-5-[(2E)-1-hydroxypenta-2,4-dien-2-yl]-4-[(4-methoxyphenoxy)methyl]-1-cyclopent-2-enone (4S,5S)-4-hydroxy-5-[(2E)-1-hydroxypenta-2,4-dien-2-yl]-4-[(4-methoxyphenoxy)methyl]cyclopent-2-en-1-one (4S,5S)-4-[(4-methoxyphenoxy)methyl]-4-oxidanyl-5-[(2E)-1-oxidanylpenta-2,4-dien-2-yl]cyclopent-2-en-1-one
Wiley ID 782686