Chem
J-GLOBAL ID：200907051767078971
Nikkaji number：J1.145.975G
4-[2,6,6-Trimethyl-4β-hydroxy-2-cyclohexenyl]-3-butene-2-one
4-[2,6,6-トリメチル-4β-ヒドロキシ-2-シクロヘキセニル]-3-ブテン-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： C13H20O2
Molecular formula furigana： C13-H20-O2
Molecular weight： 208.301
InChI：
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,11-12,15H,8H2,1-4H3/t11-,12?/m1/s1
InChI key：
FDSNVAKZRJLMJN-JHJMLUEUSA-N
SMILES：
CC(=O)C=CC1C(=C[C@@H](O)CC1(C)C)C
Systematic name (3)：
- 4-[2,6,6-トリメチル-4β-ヒドロキシ-2-シクロヘキセニル]-3-ブテン-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-2-エン-1-イル]ブタ-3-エン-2-オン
- 4-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
- 4-[2,6,6-Trimethyl-4β-hydroxy-2-cyclohexenyl]-3-butene-2-one
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