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(4E,6E,8E,10E)-11-[6-[(1E,3E,5E,7E)-9-hydroxyundeca-1,3,5,7-tetraen-10-ynyl]-1-cyclohepta-1,3,5-trienyl]-3-undeca-4,6,8,10-tetraen-1-ynol
SpectraBase Compound ID 2kMm0vCjCRX
InChI InChI=1S/C29H28O2/c1-3-28(30)23-15-11-7-5-9-13-19-26-21-17-18-22-27(25-26)20-14-10-6-8-12-16-24-29(31)4-2/h1-2,5-24,28-31H,25H2/b9-5+,10-6+,11-7+,12-8+,19-13+,20-14+,23-15+,24-16+
InChIKey MUVDAUYRDAHOEQ-QIFXUHAISA-N
Mol Weight 408.54 g/mol
Molecular Formula C29H28O2
Exact Mass 408.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxJh12SFCTI
Name (4E,6E,8E,10E)-11-[6-[(1E,3E,5E,7E)-9-hydroxyundeca-1,3,5,7-tetraen-10-ynyl]-1-cyclohepta-1,3,5-trienyl]-3-undeca-4,6,8,10-tetraen-1-ynol
Alternate Name(s) (4E,6E,8E,10E)-11-[6-[(1E,3E,5E,7E)-9-hydroxyundeca-1,3,5,7-tetraen-10-ynyl]cyclohepta-1,3,5-trien-1-yl]undeca-4,6,8,10-tetraen-1-yn-3-ol (4E,6E,8E,10E)-11-[6-[(1E,3E,5E,7E)-9-oxidanylundeca-1,3,5,7-tetraen-10-ynyl]cyclohepta-1,3,5-trien-1-yl]undeca-4,6,8,10-tetraen-1-yn-3-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O2
InChI InChI=1S/C29H28O2/c1-3-28(30)23-15-11-7-5-9-13-19-26-21-17-18-22-27(25-26)20-14-10-6-8-12-16-24-29(31)4-2/h1-2,5-24,28-31H,25H2/b9-5+,10-6+,11-7+,12-8+,19-13+,20-14+,23-15+,24-16+
InChIKey MUVDAUYRDAHOEQ-QIFXUHAISA-N
Molecular Weight 408.541 g/mol
SMILES OC(\C=C\C=C\C=C\C=C\C1=CC=CC=C(\C=C\C=C\C=C\C=C\C(C#C)O)C1)C#C
SPLASH splash10-056r-9000800000-5b51dcb8556bc3329c2f
Source of Spectrum KC-0-1467-23
Wiley ID 781313