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(4E,8E,12E,16E)-20-Bromo-21-hydroxy-4,8,13,17,21-pentamethyldocosa-4,8,12,16-tetraenal
SpectraBase Compound ID LlUdm8DaWT2
InChI InChI=1S/C27H45BrO2/c1-22(14-9-16-24(3)18-11-21-29)12-7-8-13-23(2)15-10-17-25(4)19-20-26(28)27(5,6)30/h12-13,16-17,21,26,30H,7-11,14-15,18-20H2,1-6H3/b22-12+,23-13+,24-16+,25-17+
InChIKey DWFNIRMVXVZGDB-KFLDBCSLSA-N
Mol Weight 481.6 g/mol
Molecular Formula C27H45BrO2
Exact Mass 480.260294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzfaKiFlA7u
Name (4E,8E,12E,16E)-20-Bromo-21-hydroxy-4,8,13,17,21-pentamethyldocosa-4,8,12,16-tetraenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45BrO2
InChI InChI=1S/C27H45BrO2/c1-22(14-9-16-24(3)18-11-21-29)12-7-8-13-23(2)15-10-17-25(4)19-20-26(28)27(5,6)30/h12-13,16-17,21,26,30H,7-11,14-15,18-20H2,1-6H3/b22-12+,23-13+,24-16+,25-17+
InChIKey DWFNIRMVXVZGDB-KFLDBCSLSA-N
Molecular Weight 481.559 g/mol
SMILES OC(C(CC\C(=C\CC\C(=C\CC\C=C\(CC\C=C\(CCC=O)C)C)C)C)Br)(C)C
SPLASH splash10-0ue9-9216000000-e9073d85fc8e509eb31d
Source of Spectrum K-2002-1483-19
Synonyms (4E,8E,12E,16E)-20-bromanyl-4,8,13,17,21-pentamethyl-21-oxidanyl-docosa-4,8,12,16-tetraenal
Wiley ID 1581359