Chem
J-GLOBAL ID：200907003391021448
Nikkaji number：J2.588.482E
(3aR)-3-Methyl-6α-isopropenyl-6aα-hydroxy-1,3aα,4,5,6,6a-hexahydropentalene-1-one
(3aR)-3-メチル-6α-イソプロペニル-6aα-ヒドロキシ-1,3aα,4,5,6,6a-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： C12H16O2
Molecular formula furigana： C12-H16-O2
Molecular weight： 192.258
InChI：
InChI=1S/C12H16O2/c1-7(2)9-4-5-10-8(3)6-11(13)12(9,10)14/h6,9-10,14H,1,4-5H2,2-3H3/t9-,10-,12+/m1/s1
InChI key：
GORODXJJPFMTNN-FOGDFJRCSA-N
SMILES：
CC(=C)[C@H]1CC[C@@H]2C(=CC(=O)[C@]12O)C
Systematic name (3)：
- (3aR)-3-メチル-6α-イソプロペニル-6aα-ヒドロキシ-1,3aα,4,5,6,6a-ヘキサヒドロペンタレン-1-オン
- (3aR,6R,6aS)-6a-ヒドロキシ-3-メチル-6-(プロパ-1-エン-2-イル)-1,3a,4,5,6,6a-ヘキサヒドロペンタレン-1-オン
- (3aR,6R,6aS)-6a-hydroxy-3-methyl-6-(prop-1-en-2-yl)-1,3a,4,5,6,6a-hexahydropentalen-1-one
- (3aR)-3-Methyl-6α-isopropenyl-6aα-hydroxy-1,3aα,4,5,6,6a-hexahydropentalene-1-one
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