Chem
J-GLOBAL ID:200907098585429554
Nikkaji number:J2.039.457I
(1S)-1-(3-Phenyl-2-propenyl)-2-oxocyclohexane-1β-carboxylic acid methyl ester
(1S)-1-(3-フェニル-2-プロペニル)-2-オキソシクロヘキサン-1β-カルボン酸メチル
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Substance type:
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
Molecular formula:
C17 H20 O3
Molecular formula furigana:
C17-H20-O3
Molecular weight:
272.344
InChI:
InChI=1S/C17H20O3/c1-20-16(19)17(12-6-5-11-15(17)18)13-7-10-14-8-3-2-4-9-14/h2-4,7-10H,5-6,11-13H2,1H3/t17-/m0/s1
InChI key:
SXZXCBAFJVJQKG-KRWDZBQOSA-N
SMILES:
COC(=O)[C@]1(CC=Cc2ccccc2)CCCCC1=O
Systematic name (3):
(1S)-1-(3-フェニル-2-プロペニル)-2-オキソシクロヘキサン-1β-カルボン酸メチル
メチル (1S)-2-オキソ-1-(3-フェニルプロパ-2-エン-1-イル)シクロヘキサン-1-カルボキシラート
methyl (1S)-2-oxo-1-(3-phenylprop-2-en-1-yl)cyclohexane-1-carboxylate
Other name (1):
(1S)-1-(3-Phenyl-2-propenyl)-2-oxocyclohexane-1β-carboxylic acid methyl ester
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