Chem
J-GLOBAL ID：200907014926431090
Nikkaji number：J1.219.910D
(4aR)-5,6-Dimethyl-1,2,4aβ,5,6,7,8,8aα-octahydronaphthalene-2-one
(4aR)-5,6-ジメチル-1,2,4aβ,5,6,7,8,8aα-オクタヒドロナフタレン-2-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： C12H18O
Molecular formula furigana： C12-H18-O
Molecular weight： 178.275
InChI：
InChI=1S/C12H18O/c1-8-3-4-10-7-11(13)5-6-12(10)9(8)2/h5-6,8-10,12H,3-4,7H2,1-2H3/t8?,9?,10-,12+/m0/s1
InChI key：
RQHIQALHBUXWCZ-ILDFIYDHSA-N
SMILES：
CC1CC[C@H]2CC(=O)C=C[C@@H]2C1C
Systematic name (3)：
- (4aR)-5,6-ジメチル-1,2,4aβ,5,6,7,8,8aα-オクタヒドロナフタレン-2-オン
- (4aR,8aS)-5,6-ジメチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-2-オン
- (4aR,8aS)-5,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one
- (4aR)-5,6-Dimethyl-1,2,4aβ,5,6,7,8,8aα-octahydronaphthalene-2-one
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