Chem
J-GLOBAL ID：200907010288443837
Nikkaji number：J2.128.689C
(4aS)-6-Phenyl-3,4,4aα,7,8,8aα-hexahydro-1H-2-benzopyran-1-one
(4aS)-6-フェニル-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： C15H16O2
Molecular formula furigana： C15-H16-O2
Molecular weight： 228.291
InChI：
InChI=1S/C15H16O2/c16-15-14-7-6-12(10-13(14)8-9-17-15)11-4-2-1-3-5-11/h1-5,10,13-14H,6-9H2/t13-,14+/m0/s1
InChI key：
NIUTWMBORZRLFW-UONOGXRCSA-N
SMILES：
O=C1OCC[C@H]2C=C(CC[C@@H]12)c1ccccc1
Systematic name (3)：
- (4aS)-6-フェニル-3,4,4aα,7,8,8aα-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (4aS,8aR)-6-フェニル-3,4,4a,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
- (4aS,8aR)-6-phenyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
- (4aS)-6-Phenyl-3,4,4aα,7,8,8aα-hexahydro-1H-2-benzopyran-1-one
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