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p-Benzoquinone, 2-[2-[(5,8-dihydroxy-2-isohexyl-2-methyl-6-chromanyl)carbonyl]ethyl]-
SpectraBase Compound ID FsNodbST6sF
InChI InChI=1S/C25H30O6/c1-15(2)5-4-11-25(3)12-10-18-23(30)19(14-22(29)24(18)31-25)21(28)8-6-16-13-17(26)7-9-20(16)27/h7,9,13-15,29-30H,4-6,8,10-12H2,1-3H3
InChIKey CFUHXWZFOLVVDB-UHFFFAOYSA-N
Mol Weight 426.51 g/mol
Molecular Formula C25H30O6
Exact Mass 426.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2oEOxBtDDE
Name p-Benzoquinone, 2-[2-[(5,8-dihydroxy-2-isohexyl-2-methyl-6-chromanyl)carbonyl]ethyl]-
Alternate Name(s) 2-Methyl-2-isohexyl-5,8-dihydroxy-6-(1-oxo-3-(p-quinon-2-yl)-propyl)chroman 2-{3-[5,8-dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydro-2H-chromen-6-yl]-3-oxopropyl}benzo-1,4-quinone 2-[3-[5,8-dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-3-oxopropyl]cyclohexa-2,5-diene-1,4-dione 2-[3-[5,8-dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-yl]-3-oxopropyl]cyclohexa-2,5-diene-1,4-dione 2-[3-(5,8-dihydroxy-2-isohexyl-2-methyl-chroman-6-yl)-3-oxo-propyl]-1,4-benzoquinone 2-[3-[2-methyl-2-(4-methylpentyl)-5,8-bis(oxidanyl)-3,4-dihydrochromen-6-yl]-3-oxidanylidene-propyl]cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 18227-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O6
InChI InChI=1S/C25H30O6/c1-15(2)5-4-11-25(3)12-10-18-23(30)19(14-22(29)24(18)31-25)21(28)8-6-16-13-17(26)7-9-20(16)27/h7,9,13-15,29-30H,4-6,8,10-12H2,1-3H3
InChIKey CFUHXWZFOLVVDB-UHFFFAOYSA-N
Molecular Weight 426.509 g/mol
SMILES Oc1cc(c(c2c1OC(CC2)(CCCC(C)C)C)O)C(CCC1=CC(=O)C=CC1=O)=O
SPLASH splash10-02cr-9651300000-c76a3304232237811cfe
Source of Spectrum AD-0-994-0
Wiley ID 59129