(Q104250635)

English

(4R)-3,4,5-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methylbutyryl)-2,5-cyclohexadien-1-one

group of stereoisomers with the chemical formula C₂₁H₃₀O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

362.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₅

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canonical SMILES

O=C(C1=C(O)C(=C(O)C(O)(C1=O)CC=C(C)C)CC=C(C)C)C(C)CC

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isomeric SMILES

CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)[C@](O)(CC=C(C)C)C1=O

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found in taxon

Humulus lupulus

11 references

stated in

Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds

stated in

Quantitative analysis of hop acids, essential oils and flavonoids as a clue to the identification of hop varieties

stated in

An improved NMR method for the quantification of alpha-acids in hops and hop products

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Development and validation of a high-performance liquid chromatography system for the analysis of hop bitter acids

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Preparative separation and isolation of three α bitter acids from hop, Humulus lupulus L., by centrifugal partition chromatography

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Formation of aromatic intermediates in the biosynthesis of bitter acids in Humulus lupulus

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Sensitive electrochemical detection method for alpha-acids, beta-acids and xanthohumol in hops (Humulus lupulus L.).

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Preparative separation of bitter acids from hop extracts by centrifugal partition chromatography

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Formation and accumulation of alpha-acids, beta-acids, desmethylxanthohumol, and xanthohumol during flowering of hops (Humulus lupulus L.).

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Varietal Differences in the Proportions of Cohumulone, Adhumulone, and Humulone in Hops

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The Brewing Value of Bohemian and Moravian Hops from the Harvest 2008

Identifiers

InChI

InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3/t14?,21-/m1/s1

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InChIKey

LDXMPKMQIKGJFN-OKKPIIHCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LDXMPKMQIKGJFN-OKKPIIHCSA-N

(Q104250635)

(4R)-3,4,5-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methylbutyryl)-2,5-cyclohexadien-1-one

Statements

Identifiers

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