Chem
J-GLOBAL ID：200907029221845690
Nikkaji number：J1.859.307F
(4aS)-3,4,4aα,7,8,8aβ-Hexahydro-1H-2-benzopyran-1-one
(4aS)-3,4,4aα,7,8,8aβ-ヘキサヒドロ-1H-2-ベンゾピラン-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： C9H12O2
Molecular formula furigana： C9-H12-O2
Molecular weight： 152.193
InChI：
InChI=1S/C9H12O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1,3,7-8H,2,4-6H2/t7-,8+/m1/s1
InChI key：
KXIWEYKZUGOBOH-SFYZADRCSA-N
SMILES：
O=C1OCC[C@H]2C=CCC[C@H]12
Systematic name (3)：
- (4aS)-3,4,4aα,7,8,8aβ-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (4aS,8aS)-3,4,4a,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (4aS,8aS)-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
- (4aS)-3,4,4aα,7,8,8aβ-Hexahydro-1H-2-benzopyran-1-one
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