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Chabrolohydroxybenzoquinone B
SpectraBase Compound ID 68Kcb7rhFQY
InChI InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14+
InChIKey WPIXESJVBMTAJK-CABCBHDDSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwvR80oVWKj
Name Chabrolohydroxybenzoquinone B
Appearance Pale oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14+
InChIKey WPIXESJVBMTAJK-CABCBHDDSA-N
Instrument Name VG Quattro GC/MS
Ionization Type EI
Literature Reference DOI 10.1021/np0401314
Molecular Weight 456.623 g/mol
Reported Formula C28H40O5
SMILES Oc1c(cc(c(\C=C/C(CC\C=C\(CC\C=C\(C(OC)=O)CCC=C(C)C)C)(C)O)c1)O)C
SPLASH splash10-004i-1900000000-b350f3a67db0a6a18499
Source of Spectrum G4-67-2051-3
Wiley ID 1881620