Chem
J-GLOBAL ID：200907001056256934
Nikkaji number：J1.062.514I
JTT-608
JTT-608
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： C11H18O3
Molecular formula furigana： C11-H18-O3
Molecular weight： 198.262
InChI：
InChI=1S/C11H18O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9-
InChI key：
JOWMTYWOBJALGB-KYZUINATSA-N
SMILES：
C[C@H]1CC[C@@H](CC1)C(=O)CCC(=O)O
Systematic name (3)：
- 4-(4α-メチルシクロヘキサン-1β-イル)-4-オキソ酪酸
- 4-オキソ-4-[(1r,4r)-4-メチルシクロヘキシル]ブタン酸
- 4-oxo-4-[(1r,4r)-4-methylcyclohexyl]butanoic acid
- 4-(4α-Methylcyclohexane-1β-yl)-4-oxobutyric acid
- JTT-608
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