Chem
J-GLOBAL ID：200907061047014688
Nikkaji number：J1.331.892A
(3aα,7aα)-2-Benzyl-6α-methyl-7α-hydroxyoctahydro-1H-isoindole-4-one
(3aα,7aα)-2-ベンジル-6α-メチル-7α-ヒドロキシオクタヒドロ-1H-イソインドール-4-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： C16H21NO2
Molecular formula furigana： C16-H21-N-O2
Molecular weight： 259.349
InChI：
InChI=1S/C16H21NO2/c1-11-7-15(18)13-9-17(10-14(13)16(11)19)8-12-5-3-2-4-6-12/h2-6,11,13-14,16,19H,7-10H2,1H3/t11-,13+,14-,16-/m0/s1
InChI key：
HNTRFUCURMPQNP-AEIGPULVSA-N
SMILES：
C[C@H]1CC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2[C@H]1O
Systematic name (3)：
- (3aα,7aα)-2-ベンジル-6α-メチル-7α-ヒドロキシオクタヒドロ-1H-イソインドール-4-オン
- (3aS,6S,7S,7aR)-2-ベンジル-7-ヒドロキシ-6-メチル-オクタヒドロ-1H-イソインドール-4-オン
- (3aS,6S,7S,7aR)-2-benzyl-7-hydroxy-6-methyl-octahydro-1H-isoindol-4-one
- (3aα,7aα)-2-Benzyl-6α-methyl-7α-hydroxyoctahydro-1H-isoindole-4-one
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