Chem
J-GLOBAL ID：200907060346118086
Nikkaji number：J1.331.891C
(3aS)-2-Benzyl-4α-(hydroxymethyl)-2,3,3aα,4,7,7aα-hexahydro-1H-isoindole-4β,7α-diol
(3aS)-2-ベンジル-4α-(ヒドロキシメチル)-2,3,3aα,4,7,7aα-ヘキサヒドロ-1H-イソインドール-4β,7α-ジオール
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： C16H21NO3
Molecular formula furigana： C16-H21-N-O3
Molecular weight： 275.348
InChI：
InChI=1S/C16H21NO3/c18-11-16(20)7-6-15(19)13-9-17(10-14(13)16)8-12-4-2-1-3-5-12/h1-7,13-15,18-20H,8-11H2/t13-,14+,15-,16+/m0/s1
InChI key：
DYOMDXBWNJUKBH-XUWVNRHRSA-N
SMILES：
OC[C@]1(O)C=C[C@H](O)[C@H]2CN(Cc3ccccc3)C[C@@H]12
Systematic name (3)：
- (3aS)-2-ベンジル-4α-(ヒドロキシメチル)-2,3,3aα,4,7,7aα-ヘキサヒドロ-1H-イソインドール-4β,7α-ジオール
- (3aS,4S,7S,7aR)-2-ベンジル-4-(ヒドロキシメチル)-2,3,3a,4,7,7a-ヘキサヒドロ-1H-イソインドール-4,7-ジオール
- (3aS,4S,7S,7aR)-2-benzyl-4-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-4,7-diol
- (3aS)-2-Benzyl-4α-(hydroxymethyl)-2,3,3aα,4,7,7aα-hexahydro-1H-isoindole-4β,7α-diol
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