Chem
J-GLOBAL ID：200907026643439246
Nikkaji number：J2.132.099D
(1β,2β,3R,7β,8β)-11,11-Diethylspiro[tricyclo[6.2.1.02,7]undecane-3,2′-oxirane]-9-ene-6-one
(1β,2β,3R,7β,8β)-11,11-ジエチルスピロ[トリシクロ[6.2.1.02,7]ウンデカン-3,2′-オキシラン]-9-エン-6-オン
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： C16H22O2
Molecular formula furigana： C16-H22-O2
Molecular weight： 246.350
InChI：
InChI=1S/C16H22O2/c1-3-15(4-2)10-5-6-11(15)14-13(10)12(17)7-8-16(14)9-18-16/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3/t10-,11+,13-,14-,16-/m0/s1
InChI key：
GEHZRCADEIOCNJ-ABFMOZOPSA-N
SMILES：
CCC1(CC)[C@H]2C=C[C@@H]1[C@H]1[C@@H]2C(=O)CC[C@@]21CO2
Systematic name (3)：
- (1β,2β,3R,7β,8β)-11,11-ジエチルスピロ[トリシクロ[6.2.1.02,7]ウンデカン-3,2′-オキシラン]-9-エン-6-オン
- (1'R,2R,2'S,7'R,8'S)-11',11'-ジエチルスピロ[オキシラン-2,3'-トリシクロ[6.2.1.02,7]ウンデカン]-9'-エン-6'-オン
- (1'R,2R,2'S,7'R,8'S)-11',11'-diethylspiro[oxirane-2,3'-tricyclo[6.2.1.02,7]undecan]-9'-en-6'-one
- (1β,2β,3R,7β,8β)-11,11-Diethylspiro[tricyclo[6.2.1.02,7]undecane-3,2′-oxirane]-9-ene-6-one
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