Chem
J-GLOBAL ID：200907079596121654
Nikkaji number：J1.824.245A
(3aS)-3aα,6-Dimethyl-1,2,3,3a,4,6aα-hexahydropentalene-1-one
(3aS)-3aα,6-ジメチル-1,2,3,3a,4,6aα-ヘキサヒドロペンタレン-1-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： C10H14O
Molecular formula furigana： C10-H14-O
Molecular weight： 150.221
InChI：
InChI=1S/C10H14O/c1-7-3-5-10(2)6-4-8(11)9(7)10/h3,9H,4-6H2,1-2H3/t9-,10+/m0/s1
InChI key：
ZQNTVTUEABFULL-VHSXEESVSA-N
SMILES：
CC1=CC[C@]2(C)CCC(=O)[C@H]12
Systematic name (4)：
- (3aS,6aα)-3aα,6-ジメチル-3,3a,4,6aα-テトラヒドロペンタレン-1(2H)-オン
- (3aS)-3aα,6-ジメチル-1,2,3,3a,4,6aα-ヘキサヒドロペンタレン-1-オン
- (3aS,6aS)-3a,6-ジメチル-1,2,3,3a,4,6a-ヘキサヒドロペンタレン-1-オン
- (3aS,6aS)-3a,6-dimethyl-1,2,3,3a,4,6a-hexahydropentalen-1-one
- (3aS,6aα)-3aα,6-Dimethyl-3,3a,4,6aα-tetrahydropentalene-1(2H)-one
- (3aS)-3aα,6-Dimethyl-1,2,3,3a,4,6aα-hexahydropentalene-1-one
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