Chem
J-GLOBAL ID：200907039088653169
Nikkaji number：J729.011J
(3aα,7aα)-2-Benzyl-4-(2-methoxyphenyl)-6α-methylhexahydroisoindolin-4β-ol
(3aα,7aα)-2-ベンジル-4-(2-メトキシフェニル)-6α-メチルヘキサヒドロイソインドリン-4β-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： C23H29NO2
Molecular formula furigana： C23-H29-N-O2
Molecular weight： 351.490
InChI：
InChI=1S/C23H29NO2/c1-17-12-19-15-24(14-18-8-4-3-5-9-18)16-21(19)23(25,13-17)20-10-6-7-11-22(20)26-2/h3-11,17,19,21,25H,12-16H2,1-2H3/t17-,19+,21-,23-/m1/s1
InChI key：
UEXSFOPOMUOBJS-GUBFDYSESA-N
SMILES：
COc1ccccc1[C@]1(O)C[C@H](C)C[C@H]2CN(Cc3ccccc3)C[C@@H]12
Systematic name (4)：
- (3aα,7aα)-2-ベンジル-4-(2-メトキシフェニル)-6α-メチルヘキサヒドロイソインドリン-4β-オール
- (3aα,7aα)-2-ベンジル-4-(2-メトキシフェニル)-6α-メチルオクタヒドロ-1H-イソインドール-4β-オール
- (3aS,4S,6R,7aR)-2-ベンジル-4-(2-メトキシフェニル)-6-メチル-オクタヒドロ-1H-イソインドール-4-オール
- (3aS,4S,6R,7aR)-2-benzyl-4-(2-methoxyphenyl)-6-methyl-octahydro-1H-isoindol-4-ol
- (3aα,7aα)-2-Benzyl-4-(2-methoxyphenyl)-6α-methylhexahydroisoindolin-4β-ol
- (3aα,7aα)-2-Benzyl-4-(2-methoxyphenyl)-6α-methyloctahydro-1H-isoindole-4β-ol
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