Chem
J-GLOBAL ID：200907009916843795
Nikkaji number：J2.128.688E
(3S)-3β-Methyl-3,4,4aα,7,8,8aα-hexahydro-1H-2-benzopyran-1-one
(3S)-3β-メチル-3,4,4aα,7,8,8aα-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： C10H14O2
Molecular formula furigana： C10-H14-O2
Molecular weight： 166.220
InChI：
InChI=1S/C10H14O2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2,4,7-9H,3,5-6H2,1H3/t7-,8+,9+/m0/s1
InChI key：
SJPIMUYPHLUVJO-DJLDLDEBSA-N
SMILES：
C[C@H]1C[C@H]2C=CCC[C@H]2C(=O)O1
Systematic name (3)：
- (3S)-3β-メチル-3,4,4aα,7,8,8aα-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (3S,4aS,8aR)-3-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-methyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
- (3S)-3β-Methyl-3,4,4aα,7,8,8aα-hexahydro-1H-2-benzopyran-1-one
- (3S,4aS,8aR)-3-Methyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
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