Chem
J-GLOBAL ID：200907046837498481
Nikkaji number：J2.762.598C
(2S)-2β-Chloro-2-methyl-3α-(tetrahydro-2H-pyran-2-yloxy)-5β-isopropenylcyclohexanone
(2S)-2β-クロロ-2-メチル-3α-(テトラヒドロ-2H-ピラン-2-イルオキシ)-5β-イソプロペニルシクロヘキサノン
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： C15H23ClO3
Molecular formula furigana： C15-H23-CL-O3
Molecular weight： 286.800
InChI：
InChI=1S/C15H23ClO3/c1-10(2)11-8-12(17)15(3,16)13(9-11)19-14-6-4-5-7-18-14/h11,13-14H,1,4-9H2,2-3H3/t11-,13+,14?,15+/m0/s1
InChI key：
IOUXMTOCASYSEK-XNSVHDKESA-N
SMILES：
CC(=C)[C@@H]1C[C@@H](OC2CCCCO2)[C@](C)(Cl)C(=O)C1
Systematic name (3)：
- (2S)-2β-クロロ-2-メチル-3α-(テトラヒドロ-2H-ピラン-2-イルオキシ)-5β-イソプロペニルシクロヘキサノン
- (2S,3R,5R)-2-クロロ-2-メチル-3-(オキサン-2-イルオキシ)-5-(プロパ-1-エン-2-イル)シクロヘキサン-1-オン
- (2S,3R,5R)-2-chloro-2-methyl-3-(oxan-2-yloxy)-5-(prop-1-en-2-yl)cyclohexan-1-one
- (2S)-2β-Chloro-2-methyl-3α-(tetrahydro-2H-pyran-2-yloxy)-5β-isopropenylcyclohexanone
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