Chem
J-GLOBAL ID：200907056394088922
Nikkaji number：J1.149.708J
4-(2,6,6-Trimethyl-4α-hydroxy-1-cyclohexene-1-yl)butane-2-one
4-(2,6,6-トリメチル-4α-ヒドロキシ-1-シクロヘキセン-1-イル)ブタン-2-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： C13H22O2
Molecular formula furigana： C13-H22-O2
Molecular weight： 210.317
InChI：
InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3/t11-/m0/s1
InChI key：
KFZDTDKRRFEMEK-NSHDSACASA-N
SMILES：
CC(=O)CCC1=C(C)C[C@H](O)CC1(C)C
Systematic name (3)：
- 4-(2,6,6-トリメチル-4α-ヒドロキシ-1-シクロヘキセン-1-イル)ブタン-2-オン
- 4-[(4S)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]ブタン-2-オン
- 4-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]butan-2-one
- 4-(2,6,6-Trimethyl-4α-hydroxy-1-cyclohexene-1-yl)butane-2-one
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