Chem
J-GLOBAL ID：200907011026979090
Nikkaji number：J1.859.308D
(4aR)-5-Methyl-3,4,4aα,7,8,8aβ-hexahydro-1H-2-benzopyran-1-one
(4aR)-5-メチル-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： C10H14O2
Molecular formula furigana： C10-H14-O2
Molecular weight： 166.220
InChI：
InChI=1S/C10H14O2/c1-7-3-2-4-9-8(7)5-6-12-10(9)11/h3,8-9H,2,4-6H2,1H3/t8-,9-/m0/s1
InChI key：
XAFOLODZAJATFU-IUCAKERBSA-N
SMILES：
CC1=CCC[C@H]2[C@H]1CCOC2=O
Systematic name (3)：
- (4aR)-5-メチル-3,4,4aα,7,8,8aβ-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (4aR,8aS)-5-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
- (4aR,8aS)-5-methyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
- (4aR)-5-Methyl-3,4,4aα,7,8,8aβ-hexahydro-1H-2-benzopyran-1-one
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