2-Acetyl-6-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one

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Systematic / IUPAC Name: 2-Acetyl-6-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one

ID: Reference7452

Other Names: 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4-dimethyl-6-{[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl}-

Formula: C22H26O8

Spectral Data

2-Acetyl-6-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/26/2018 10:07:36 AM
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Identificators

InChI InChI=1S/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h25-27,29-30H,6-8H2,1-5H3
InChI Key XRWVZSPWRNDJNS-UHFFFAOYSA-N
Canonical SMILES CCCC(=O)c1c(c(c(c(c1O)CC2=C(C(C(=C(C2=O)C(=O)C)O)(C)C)O)O)C)O
CAS
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Other Names 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4-dimethyl-6-{[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl}-

In Other Databases

ChemSpider 22370402
ChEBI CHEBI:65897