Chem
J-GLOBAL ID：200907002424991310
Nikkaji number：J2.085.686F
(1β,4β)-5α,6α-(Isopropylidenebisoxy)-5,8-(carbonyliminomethylene)bicyclo[2.2.2]octa-2-ene
(1β,4β)-5α,6α-(イソプロピリデンビスオキシ)-5,8-(カルボニルイミノメチレン)ビシクロ[2.2.2]オクタ-2-エン
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： C13H17NO3
Molecular formula furigana： C13-H17-N-O3
Molecular weight： 235.283
InChI：
InChI=1S/C13H17NO3/c1-12(2)16-10-7-3-4-9-8(5-7)6-14-11(15)13(9,10)17-12/h3-4,7-10H,5-6H2,1-2H3,(H,14,15)/t7-,8?,9+,10-,13+/m1/s1
InChI key：
DOALUHSMFVEWGR-SNRFPUIZSA-N
SMILES：
CC1(C)O[C@@H]2[C@H]3CC4CNC(=O)[C@]2(O1)[C@H]4C=C3
Systematic name (3)：
- (1β,4β)-5α,6α-(イソプロピリデンビスオキシ)-5,8-(カルボニルイミノメチレン)ビシクロ[2.2.2]オクタ-2-エン
- (1S,2R,6S,11S)-4,4-ジメチル-3,5-ジオキサ-8-アザテトラシクロ[8.3.1.02,6.06,11]テトラデカ-12-エン-7-オン
- (1S,2R,6S,11S)-4,4-dimethyl-3,5-dioxa-8-azatetracyclo[8.3.1.02,6.06,11]tetradec-12-en-7-one
- (1β,4β)-5α,6α-(Isopropylidenebisoxy)-5,8-(carbonyliminomethylene)bicyclo[2.2.2]octa-2-ene
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