Chem
J-GLOBAL ID：200907023352055395
Nikkaji number：J393.214A
(1S,4S)-2-(Trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2β-carboxylic acid [(R)-tetrahydro-4,4-dimethyl-2-oxofuran]-3-yl ester
(1S,4S)-2-(トリフルオロメチル)ビシクロ[2.2.1]ヘプタ-5-エン-2β-カルボン酸[(R)-テトラヒドロ-4,4-ジメチル-2-オキソフラン]-3-イル
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： C15H17F3O4
Molecular formula furigana： C15-H17-F3-O4
Molecular weight： 318.292
InChI：
InChI=1S/C15H17F3O4/c1-13(2)7-21-11(19)10(13)22-12(20)14(15(16,17)18)6-8-3-4-9(14)5-8/h3-4,8-10H,5-7H2,1-2H3/t8-,9+,10-,14+/m0/s1
InChI key：
WJWJPHKACLJVLH-AEISUSGSSA-N
SMILES：
CC1(C)COC(=O)[C@@H]1OC(=O)[C@]1(C[C@@H]2C[C@H]1C=C2)C(F)(F)F
Systematic name (3)：
- (1S,4S)-2-(トリフルオロメチル)ビシクロ[2.2.1]ヘプタ-5-エン-2β-カルボン酸[(R)-テトラヒドロ-4,4-ジメチル-2-オキソフラン]-3-イル
- (3R)-4,4-ジメチル-2-オキソオキソラン-3-イル (1S,2R,4S)-2-(トリフルオロメチル)ビシクロ[2.2.1]ヘプタ-5-エン-2-カルボキシラート
- (3R)-4,4-dimethyl-2-oxooxolan-3-yl (1S,2R,4S)-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
- (1S,4S)-2-(Trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2β-carboxylic acid [(R)-tetrahydro-4,4-dimethyl-2-oxofuran]-3-yl ester
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