Chem
J-GLOBAL ID：200907061857402463
Nikkaji number：J1.859.312B
(3S)-3β,8aα-Dimethyl-3,4,4aα,7,8,8a-hexahydro-1H-2-benzopyran-1-one
(3S)-3β,8aα-ジメチル-3,4,4aα,7,8,8a-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： C11H16O2
Molecular formula furigana： C11-H16-O2
Molecular weight： 180.247
InChI：
InChI=1S/C11H16O2/c1-8-7-9-5-3-4-6-11(9,2)10(12)13-8/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9+,11+/m0/s1
InChI key：
FQJPZMMUOIOESE-IQJOONFLSA-N
SMILES：
C[C@H]1C[C@H]2C=CCC[C@@]2(C)C(=O)O1
Systematic name (3)：
- (3S)-3β,8aα-ジメチル-3,4,4aα,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (3S,4aS,8aR)-3,8a-ジメチル-3,4,4a,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (3S,4aS,8aR)-3,8a-dimethyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
- (3S)-3β,8aα-Dimethyl-3,4,4aα,7,8,8a-hexahydro-1H-2-benzopyran-1-one
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