Chem
J-GLOBAL ID：201407027276088438
Nikkaji number：J3.258.390C
Octanoic acid [(1Z,5E,8E)-4,4,8-trimethyl-7-oxo-1,5,8-cycloundecatriene-1-yl]methyl ester
オクタン酸[(1Z,5E,8E)-4,4,8-トリメチル-7-オキソ-1,5,8-シクロウンデカトリエン-1-イル]メチル
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： C23H36O3
Molecular formula furigana： C23-H36-O3
Molecular weight： 360.538
InChI：
InChI=1S/C23H36O3/c1-5-6-7-8-9-13-22(25)26-18-20-12-10-11-19(2)21(24)15-17-23(3,4)16-14-20/h11,14-15,17H,5-10,12-13,16,18H2,1-4H3/b17-15+,19-11+,20-14-
InChI key：
LAJRSWSITQKJMI-VIXXEGSASA-N
SMILES：
CCCCCCCC(=O)OC/C/1=C\CC(C)(C)/C=C/C(=O)/C(=C/CC1)/C
Systematic name (3)：
- オクタン酸[(1Z,5E,8E)-4,4,8-トリメチル-7-オキソ-1,5,8-シクロウンデカトリエン-1-イル]メチル
- [(1Z,5E,8E)-4,4,8-トリメチル-7-オキソシクロウンデカ-1,5,8-トリエン-1-イル]メチル オクタノアート
- [(1Z,5E,8E)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-trien-1-yl]methyl octanoate
- Octanoic acid [(1Z,5E,8E)-4,4,8-trimethyl-7-oxo-1,5,8-cycloundecatriene-1-yl]methyl ester
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