Chem
J-GLOBAL ID：200907057651916099
Nikkaji number：J2.388.186A
(2R)-2α-Hydroxy-2-methyl-5-(3-pentene-1-ynyl)-6-(hydroxymethylene)-4-cyclohexene-1,3-dione
(2R)-2α-ヒドロキシ-2-メチル-5-(3-ペンテン-1-イニル)-6-(ヒドロキシメチレン)-4-シクロヘキセン-1,3-ジオン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C13H12O4
Molecular formula furigana： C13-H12-O4
Molecular weight： 232.235
InChI：
InChI=1S/C13H12O4/c1-3-4-5-6-9-7-11(15)13(2,17)12(16)10(9)8-14/h3-4,7-8,14,17H,1-2H3/t13-/m1/s1
InChI key：
OBACLXVNGZEUCC-CYBMUJFWSA-N
SMILES：
CC=CC#CC1=CC(=O)[C@@](C)(O)C(=O)C1=CO
Systematic name (3)：
- (2R)-2α-ヒドロキシ-2-メチル-5-(3-ペンテン-1-イニル)-6-(ヒドロキシメチレン)-4-シクロヘキセン-1,3-ジオン
- (2R)-2-ヒドロキシ-6-(ヒドロキシメチリデン)-2-メチル-5-(ペンタ-3-エン-1-イン-1-イル)シクロヘキサ-4-エン-1,3-ジオン
- (2R)-2-hydroxy-6-(hydroxymethylidene)-2-methyl-5-(pent-3-en-1-yn-1-yl)cyclohex-4-ene-1,3-dione
- (2R)-2α-Hydroxy-2-methyl-5-(3-pentene-1-ynyl)-6-(hydroxymethylene)-4-cyclohexene-1,3-dione
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