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2-Cyclohexen-1-one, 6-hydroxy-3-(5-hydroxy-3-methyl-1,3-pentadienyl)-2,4,4-trimethyl-, [S-(E,E)]-
SpectraBase Compound ID BAYfF0WADi7
InChI InChI=1S/C15H22O3/c1-10(7-8-16)5-6-12-11(2)13(17)9-14(18)15(12,3)4/h5-7,14,16,18H,8-9H2,1-4H3/b6-5+,10-7+/t14-/m0/s1
InChIKey NSRJTXRHMOEFJO-KLQYMRIWSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kfk0O03OVb
Name 2-Cyclohexen-1-one, 6-hydroxy-3-(5-hydroxy-3-methyl-1,3-pentadienyl)-2,4,4-trimethyl-, [S-(E,E)]-
CAS Registry Number 80736-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10(7-8-16)5-6-12-11(2)13(17)9-14(18)15(12,3)4/h5-7,14,16,18H,8-9H2,1-4H3/b6-5+,10-7+/t14-/m0/s1
InChIKey NSRJTXRHMOEFJO-KLQYMRIWSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]1(CC(C(=C(\C=C\C(=C\CO)C)C1(C)C)C)=O)[H]
SPLASH splash10-05mp-2910000000-955d9ad7a22b304b4077
Source of Spectrum H-64-2416-0
Synonyms (5S)-5-hydroxy-3-[(1E,3E)-5-hydroxy-3-methyl-1,3-pentadienyl]-2,4,4-trimethyl-2-cyclohexen-1-one (S)-Hydroxy-3-(5-hydroxy-3-methyl-1,3-pentadienyl)-2,4,4-trimethyl-2-cyclohexen-1-one (5S)-5-hydroxy-3-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,4,4-trimethyl-1-cyclohex-2-enone (5S)-5-hydroxy-3-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one (5S)-2,4,4-trimethyl-3-[(1E,3E)-3-methyl-5-oxidanyl-penta-1,3-dienyl]-5-oxidanyl-cyclohex-2-en-1-one
Wiley ID 1253551